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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-28-16-7-8-18(19(13-16)29-2)26-22(27)21-17-5-3-4-6-20(17)30-23(21)25-14-15-9-11-24-12-10-15/h7-13,25H,3-6,14H2,1-2H3,(H,26,27)