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

Systemtic Name: 4-chloranyl-3-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(4-phenylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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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=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O3S/c22-17-11-10-16(20(26)27)12-18(17)23-21(28)24-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,26,27)(H2,23,24,25,28)