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

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-3-methyl-benzoic acid CAS Name: 4-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-3-methylbenzoic acid Traditional Name: 4-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-3-methyl-benzoic acid Formula: C17H15ClN2O3S2 MolecularWeight: 394.8956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2O3S2/c1-10-8-11(16(22)23)2-7-14(10)19-17(24)20-15(21)9-25-13-5-3-12(18)4-6-13/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,24)