2-[1,3-benzodioxol-5-yl(2-thiophen-2-ylethanoyl)amino]-N-cyclopentyl-2-pyridin-4-yl-ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(2-thiophen-2-ylethanoyl)amino]-N-cyclopentyl-2-pyridin-4-yl-ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-cyclopentyl-2-(4-pyridyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide Traditional Name: 2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-cyclopentyl-2-(4-pyridyl)acetamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

Isomeric SMILES

C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C25H25N3O4S/c29-23(15-20-6-3-13-33-20)28(19-7-8-21-22(14-19)32-16-31-21)24(17-9-11-26-12-10-17)25(30)27-18-4-1-2-5-18/h3,6-14,18,24H,1-2,4-5,15-16H2,(H,27,30)