4-methyl-3-(phenylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methyl-3-(phenylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 3-(benzoylcarbamothioylamino)-4-methyl-benzoic acid CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-4-methylbenzoic acid IUPAC Name: 3-(benzoylcarbamothioylamino)-4-methylbenzoic acid Traditional Name: 3-(benzoylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c1-10-7-8-12(15(20)21)9-13(10)17-16(22)18-14(19)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21)(H2,17,18,19,22)