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

Systemtic Name: 3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2O3S/c1-10-2-5-12(16(22)23)9-14(10)19-17(24)20-15(21)8-11-3-6-13(18)7-4-11/h2-7,9H,8H2,1H3,(H,22,23)(H2,19,20,21,24)