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

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[cyclopentyl(piperonyl)amino]propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CCC(=O)NC2=C(C=CS2)C#N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)N(CCC(=O)NC2=C(C=CS2)C#N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O3S/c22-12-16-8-10-28-21(16)23-20(25)7-9-24(17-3-1-2-4-17)13-15-5-6-18-19(11-15)27-14-26-18/h5-6,8,10-11,17H,1-4,7,9,13-14H2,(H,23,25)