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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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