(phenylmethyl) 4-(3-azanylsulfanyl-3-oxidanylidene-propyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-azanylsulfanyl-3-oxidanylidene-propyl)piperidine-1-carboxylate Openeye Name: benzyl 4-(3-aminosulfanyl-3-oxo-propyl)piperidine-1-carboxylate CAS Name: 4-[3-(aminothio)-3-oxopropyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-aminosulfanyl-3-oxopropyl)piperidine-1-carboxylate Traditional Name: 4-[3-(aminothio)-3-keto-propyl]piperidine-1-carboxylic acid benzyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)SN)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1CCC(=O)SN)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O3S/c17-22-15(19)7-6-13-8-10-18(11-9-13)16(20)21-12-14-4-2-1-3-5-14/h1-5,13H,6-12,17H2