N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4,5-dimethyl-3-(3-pyridylmethylcarbamoyl)-2-thienyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4,5-dimethyl-3-[oxo-(3-pyridinylmethylamino)methyl]-2-thiophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4,5-dimethyl-3-(3-pyridylmethylcarbamoyl)-2-thienyl]-piperonylamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H19N3O4S/c1-12-13(2)29-21(18(12)20(26)23-10-14-4-3-7-22-9-14)24-19(25)15-5-6-16-17(8-15)28-11-27-16/h3-9H,10-11H2,1-2H3,(H,23,26)(H,24,25)