N-[2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-[2-(benzylthio)acetyl]piperazino]ethyl]-piperonylamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c27-22(16-31-15-18-4-2-1-3-5-18)26-12-10-25(11-13-26)9-8-24-23(28)19-6-7-20-21(14-19)30-17-29-20/h1-7,14H,8-13,15-17H2,(H,24,28)