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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(phenylsulfanylmethyl)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(phenylsulfanylmethyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(phenylsulfanylmethyl)phenyl]methanone Traditional Name: [4-[(phenylthio)methyl]phenyl]-(4-piperonylpiperazino)methanone Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CSC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CSC5=CC=CC=C5

InChI

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