4-[3-(4-chlorophenyl)propylcarbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[3-(4-chlorophenyl)propylcarbamothioylsulfanyl]butanoic acid Openeye Name: 4-[3-(4-chlorophenyl)propylcarbamothioylsulfanyl]butanoic acid CAS Name: 4-[[[3-(4-chlorophenyl)propylamino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[3-(4-chlorophenyl)propylcarbamothioylsulfanyl]butanoic acid Traditional Name: 4-[3-(4-chlorophenyl)propylthiocarbamoylthio]butyric acid Formula: C14H18ClNO2S2 MolecularWeight: 331.88122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCNC(=S)SCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CCCNC(=S)SCCCC(=O)O)Cl

InChI

InChI=1S/C14H18ClNO2S2/c15-12-7-5-11(6-8-12)3-1-9-16-14(19)20-10-2-4-13(17)18/h5-8H,1-4,9-10H2,(H,16,19)(H,17,18)