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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-[2-(phenylthio)ethoxy]phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone Traditional Name: [4-[2-(phenylthio)ethoxy]phenyl]-(4-piperonylpiperazino)methanone Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)OCCSC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)OCCSC5=CC=CC=C5

InChI

InChI=1S/C27H28N2O4S/c30-27(22-7-9-23(10-8-22)31-16-17-34-24-4-2-1-3-5-24)29-14-12-28(13-15-29)19-21-6-11-25-26(18-21)33-20-32-25/h1-11,18H,12-17,19-20H2