(phenylmethyl) N-(1-oxidanylidene-1-piperazin-1-yl-3-sulfanyl-propan-2-yl)carbamate

Systemtic Name: (phenylmethyl) N-(1-oxidanylidene-1-piperazin-1-yl-3-sulfanyl-propan-2-yl)carbamate Openeye Name: benzyl N-[2-oxo-2-piperazin-1-yl-1-(sulfanylmethyl)ethyl]carbamate CAS Name: N-[3-mercapto-1-oxo-1-(1-piperazinyl)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(1-oxo-1-piperazin-1-yl-3-sulfanylpropan-2-yl)carbamate Traditional Name: N-[2-keto-1-(mercaptomethyl)-2-piperazino-ethyl]carbamic acid benzyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(CS)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1)C(=O)C(CS)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H21N3O3S/c19-14(18-8-6-16-7-9-18)13(11-22)17-15(20)21-10-12-4-2-1-3-5-12/h1-5,13,16,22H,6-11H2,(H,17,20)