N-(1,3-benzodioxol-5-yl)-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]isonipecotamide Formula: C23H23N5O4S MolecularWeight: 465.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CSC5=NC=NN5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CSC5=NC=NN5

InChI

InChI=1S/C23H23N5O4S/c29-21(26-18-5-6-19-20(11-18)32-14-31-19)16-7-9-28(10-8-16)22(30)17-3-1-15(2-4-17)12-33-23-24-13-25-27-23/h1-6,11,13,16H,7-10,12,14H2,(H,26,29)(H,24,25,27)