[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(phenylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(phenylmethylsulfanyl)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-benzylsulfanylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(phenylmethylthio)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-benzylsulfanylphenyl)methanone Traditional Name: [2-(benzylthio)phenyl]-(4-piperonylpiperazino)methanone Formula: C26H26N2O3S MolecularWeight: 446.56124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4SCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4SCC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O3S/c29-26(22-8-4-5-9-25(22)32-18-20-6-2-1-3-7-20)28-14-12-27(13-15-28)17-21-10-11-23-24(16-21)31-19-30-23/h1-11,16H,12-15,17-19H2