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

Systemtic Name: 3-[(3-chlorophenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-chlorophenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-chlorophenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-chlorophenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C15H13ClN2O2S MolecularWeight: 320.79392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2O2S/c1-9-5-6-10(14(19)20)7-13(9)18-15(21)17-12-4-2-3-11(16)8-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)