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

Systemtic Name: N-[2-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[[2-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-[2-(methylthio)benzoyl]piperazino]ethyl]-piperonylamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4S/c1-30-20-5-3-2-4-17(20)22(27)25-12-10-24(11-13-25)9-8-23-21(26)16-6-7-18-19(14-16)29-15-28-18/h2-7,14H,8-13,15H2,1H3,(H,23,26)