(phenylmethyl) 3-sulfanylidenepiperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-sulfanylidenepiperazine-1-carboxylate Openeye Name: benzyl 3-thioxopiperazine-1-carboxylate CAS Name: 3-sulfanylidene-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-sulfanylidenepiperazine-1-carboxylate Traditional Name: 3-thioxopiperazine-1-carboxylic acid benzyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=S)N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CC(=S)N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2S/c15-12(14-7-6-13-11(17)8-14)16-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,17)