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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C17H16N2O3S/c1-10-3-4-13(16(21)22)9-15(10)19-17(23)18-14-7-5-12(6-8-14)11(2)20/h3-9H,1-2H3,(H,21,22)(H2,18,19,23)