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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]isonipecotamide Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N3O4S2/c27-22(13-31-12-21-25-17-3-1-2-4-20(17)32-21)26-9-7-15(8-10-26)23(28)24-16-5-6-18-19(11-16)30-14-29-18/h1-6,11,15H,7-10,12-14H2,(H,24,28)