N-[2-[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[[2-(ethylthio)phenyl]-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-[2-(ethylthio)benzoyl]piperazino]ethyl]-piperonylamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O4S/c1-2-31-21-6-4-3-5-18(21)23(28)26-13-11-25(12-14-26)10-9-24-22(27)17-7-8-19-20(15-17)30-16-29-19/h3-8,15H,2,9-14,16H2,1H3,(H,24,27)