N-(1,3-benzodioxol-5-yl)-1-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-keto-2-[2-(2-thienyl)ethylamino]ethyl]isonipecotamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C21H25N3O4S/c25-20(22-8-5-17-2-1-11-29-17)13-24-9-6-15(7-10-24)21(26)23-16-3-4-18-19(12-16)28-14-27-18/h1-4,11-12,15H,5-10,13-14H2,(H,22,25)(H,23,26)