N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C24H23N3O4S/c28-22(19-14-30-17-8-2-3-9-18(17)31-19)27-24-21(16-7-1-4-10-20(16)32-24)23(29)26-13-15-6-5-11-25-12-15/h2-3,5-6,8-9,11-12,19H,1,4,7,10,13-14H2,(H,26,29)(H,27,28)