4-[1-(4-chlorophenyl)propylcarbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[1-(4-chlorophenyl)propylcarbamothioylsulfanyl]butanoic acid Openeye Name: 4-[1-(4-chlorophenyl)propylcarbamothioylsulfanyl]butanoic acid CAS Name: 4-[[[1-(4-chlorophenyl)propylamino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[1-(4-chlorophenyl)propylcarbamothioylsulfanyl]butanoic acid Traditional Name: 4-[1-(4-chlorophenyl)propylthiocarbamoylthio]butyric acid Formula: C14H18ClNO2S2 MolecularWeight: 331.88122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Cl)NC(=S)SCCCC(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)Cl)NC(=S)SCCCC(=O)O

InChI

InChI=1S/C14H18ClNO2S2/c1-2-12(10-5-7-11(15)8-6-10)16-14(19)20-9-3-4-13(17)18/h5-8,12H,2-4,9H2,1H3,(H,16,19)(H,17,18)