N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-(phenylsulfanylmethyl)ethyl]acetamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxo-3-(phenylthio)propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylsulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-keto-1-[(phenylthio)methyl]-2-(4-piperonylpiperazino)ethyl]acetamide Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O4S/c1-17(27)24-20(15-31-19-5-3-2-4-6-19)23(28)26-11-9-25(10-12-26)14-18-7-8-21-22(13-18)30-16-29-21/h2-8,13,20H,9-12,14-16H2,1H3,(H,24,27)/t20-/m1/s1