4-[[(3-ethanoylphenyl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3-ethanoylphenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(3-acetylphenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(3-acetylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-acetylphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(3-acetylphenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c1-11(20)14-3-2-4-15(9-14)19-17(23)18-10-12-5-7-13(8-6-12)16(21)22/h2-9H,10H2,1H3,(H,21,22)(H2,18,19,23)