N-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-ylthio)butanoyl]isonipecotamide Formula: C24H25N3O4S2 MolecularWeight: 483.603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCCSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCCSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N3O4S2/c28-22(6-3-13-32-24-26-18-4-1-2-5-21(18)33-24)27-11-9-16(10-12-27)23(29)25-17-7-8-19-20(14-17)31-15-30-19/h1-2,4-5,7-8,14,16H,3,6,9-13,15H2,(H,25,29)