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

Systemtic Name: N-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-(3-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-(3-pyridinylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-p-phenetyl-2-(3-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CN=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-2-28-18-11-9-17(10-12-18)26-22(27)21-19-7-3-4-8-20(19)29-23(21)25-15-16-6-5-13-24-14-16/h5-6,9-14,25H,2-4,7-8,15H2,1H3,(H,26,27)