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

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[ethyl(piperonyl)amino]propionamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-2-21(11-13-3-4-15-16(9-13)24-12-23-15)7-5-17(22)20-18-14(10-19)6-8-25-18/h3-4,6,8-9H,2,5,7,11-12H2,1H3,(H,20,22)