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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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