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

Systemtic Name: 3-[(4-chlorophenyl)carbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(4-chlorophenyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(4-chlorophenyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(4-chlorophenyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H13ClN2O3S/c1-21-13-7-2-9(14(19)20)8-12(13)18-15(22)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,19,20)(H2,17,18,22)