3-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C17H15ClN2O4S2 MolecularWeight: 410.895

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2O4S2/c1-24-14-7-2-10(16(22)23)8-13(14)19-17(25)20-15(21)9-26-12-5-3-11(18)4-6-12/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,25)