N-(1-phenyl-3-sulfanyl-propan-2-yl)piperazine-1-carboxamide ethanoate

Systemtic Name: N-(1-phenyl-3-sulfanyl-propan-2-yl)piperazine-1-carboxamide ethanoate Openeye Name: N-(1-benzyl-2-sulfanyl-ethyl)piperazine-1-carboxamide acetate CAS Name: N-(1-mercapto-3-phenylpropan-2-yl)-1-piperazinecarboxamide acetate IUPAC Name: N-(1-phenyl-3-sulfanylpropan-2-yl)piperazine-1-carboxamide acetate Traditional Name: N-(1-benzyl-2-mercapto-ethyl)piperazine-1-carboxamide acetate Formula: C16H24N3O3S- MolecularWeight: 338.44506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1CN(CCN1)C(=O)NC(CC2=CC=CC=C2)CS

Isomeric SMILES

CC(=O)[O-].C1CN(CCN1)C(=O)NC(CC2=CC=CC=C2)CS

InChI

InChI=1S/C14H21N3OS.C2H4O2/c18-14(17-8-6-15-7-9-17)16-13(11-19)10-12-4-2-1-3-5-12;1-2(3)4/h1-5,13,15,19H,6-11H2,(H,16,18);1H3,(H,3,4)/p-1