N-(1,3-benzodioxol-5-yl)-1-(2-naphthalen-2-ylsulfanylethanoyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-naphthalen-2-ylsulfanylethanoyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-naphthylsulfanyl)acetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-naphthalenylthio)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-naphthylthio)acetyl]isonipecotamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H24N2O4S/c28-24(15-32-21-7-5-17-3-1-2-4-19(17)13-21)27-11-9-18(10-12-27)25(29)26-20-6-8-22-23(14-20)31-16-30-22/h1-8,13-14,18H,9-12,15-16H2,(H,26,29)