2-[4-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2O3S2/c18-12-3-7-14(8-4-12)25-10-15(21)20-17(24)19-13-5-1-11(2-6-13)9-16(22)23/h1-8H,9-10H2,(H,22,23)(H2,19,20,21,24)