3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[methyl(piperonyl)amino]propionamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C=CS1)C#N)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CCC(=O)NC1=C(C=CS1)C#N)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17N3O3S/c1-20(10-12-2-3-14-15(8-12)23-11-22-14)6-4-16(21)19-17-13(9-18)5-7-24-17/h2-3,5,7-8H,4,6,10-11H2,1H3,(H,19,21)