N-(2,5-dimethoxyphenyl)-2-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(2-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-2-(2-pyridinylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-(2-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC=CC=N4

InChI

InChI=1S/C23H25N3O3S/c1-28-16-10-11-19(29-2)18(13-16)26-22(27)21-17-8-3-4-9-20(17)30-23(21)25-14-15-7-5-6-12-24-15/h5-7,10-13,25H,3-4,8-9,14H2,1-2H3,(H,26,27)