N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4,5-dimethyl-3-(3-pyridylmethylcarbamoyl)-2-thienyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4,5-dimethyl-3-[oxo-(3-pyridinylmethylamino)methyl]-2-thiophenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4,5-dimethyl-3-(3-pyridylmethylcarbamoyl)-2-thienyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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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)OCCO4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H21N3O4S/c1-13-14(2)30-22(19(13)21(27)24-12-15-4-3-7-23-11-15)25-20(26)16-5-6-17-18(10-16)29-9-8-28-17/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,27)(H,25,26)