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

Systemtic Name: 4-methyl-3-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(4-phenylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O3S/c1-14-7-8-18(21(26)27)13-19(14)23-22(28)24-20(25)17-11-9-16(10-12-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)(H2,23,24,25,28)