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

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-(3-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-2-(3-pyridinylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-(3-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)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CN=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CN=CC=C4)OC

InChI

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