methyl 4-[(phenylmethyl)carbamothioylsulfanyl]butanoate

Systemtic Name: methyl 4-[(phenylmethyl)carbamothioylsulfanyl]butanoate Openeye Name: methyl 4-(benzylcarbamothioylsulfanyl)butanoate CAS Name: 4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-(benzylcarbamothioylsulfanyl)butanoate Traditional Name: 4-(benzylthiocarbamoylthio)butyric acid methyl ester Formula: C13H17NO2S2 MolecularWeight: 283.40958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC(=S)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCSC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO2S2/c1-16-12(15)8-5-9-18-13(17)14-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,14,17)