N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-piperidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-piperidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(1-piperidyl)-2-(3-thienyl)ethyl]oxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(1-piperidinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide Traditional Name: N'-[2-piperidino-2-(3-thienyl)ethyl]-N-piperonyl-oxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CSC=C4

Isomeric SMILES

C1CCN(CC1)C(CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CSC=C4

InChI

InChI=1S/C21H25N3O4S/c25-20(22-11-15-4-5-18-19(10-15)28-14-27-18)21(26)23-12-17(16-6-9-29-13-16)24-7-2-1-3-8-24/h4-6,9-10,13,17H,1-3,7-8,11-12,14H2,(H,22,25)(H,23,26)