3-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-phenylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C21H16N2O3S MolecularWeight: 376.42834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H16N2O3S/c24-19(16-11-9-15(10-12-16)14-5-2-1-3-6-14)23-21(27)22-18-8-4-7-17(13-18)20(25)26/h1-13H,(H,25,26)(H2,22,23,24,27)