methyl 3-[(phenylmethyl)carbamothioylsulfanyl]propanoate

Systemtic Name: methyl 3-[(phenylmethyl)carbamothioylsulfanyl]propanoate Openeye Name: methyl 3-(benzylcarbamothioylsulfanyl)propanoate CAS Name: 3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(benzylcarbamothioylsulfanyl)propanoate Traditional Name: 3-(benzylthiocarbamoylthio)propionic acid methyl ester Formula: C12H15NO2S2 MolecularWeight: 269.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2S2/c1-15-11(14)7-8-17-12(16)13-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)