(phenylmethyl) 2-butyl-3-sulfanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-butyl-3-sulfanylidene-piperazine-1-carboxylate Openeye Name: benzyl 2-butyl-3-thioxo-piperazine-1-carboxylate CAS Name: 2-butyl-3-sulfanylidene-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-butyl-3-sulfanylidenepiperazine-1-carboxylate Traditional Name: 2-butyl-3-thioxo-piperazine-1-carboxylic acid benzyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=S)NCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC1C(=S)NCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O2S/c1-2-3-9-14-15(21)17-10-11-18(14)16(19)20-12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,17,21)