| CAS Number | 19249-97-9 |
| Catalog Number | AG00IXSW(AGN-PC-0JYUQO) |
| Chemical Name | 2-{[(benzoylamino)carbothioyl]amino}-1,1'-biphenyl |
| IUPAC Name | N-[(2-phenylphenyl)carbamothioyl]benzamide |
| InChI | InChI=1S/C20H16N2OS/c23-19(16-11-5-2-6-12-16)22-20(24)21-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H2,21,22,23,24) |
| InChI Key | VPCKNCJBXDGMQV-UHFFFAOYSA-N |
| MDL Number | MFCD03305520 |
| Molecular Formula | C20H16N2OS |
| Molecular Weight | 332.4188 |
| SMILES | S=C(NC2(=C(C1(=CC=CC=C1))C=CC=C2))NC(=O)C3(=CC=CC=C3) |
| Synonyms | 19249-97-9,
2-{[(benzoylamino)carbothioyl]amino}-1,1'-biphenyl,
N-(biphenyl-2-ylcarbamothioyl)benzamide,
1-benzoyl-3-{[1,1'-biphenyl]-2-yl}thiourea,
AC1LJNQU,
SCHEMBL3047510,
KS-00001UOL,
ZINC619515,
STK136498,
AKOS005085865,
MCULE-4044540776,
N-[(2-phenylphenyl)carbamothioyl]benzamide,
1-Benzoyl-3-(1,1'-biphenyl-2-yl)thiourea,
2N-009,
CID977045,
ZINC00619515,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.421g/mol |
| Monoisotopic Mass | 332.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number