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

Systemtic Name: N-(2-methoxyphenyl)-2-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-methoxyphenyl)-2-(4-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-methoxyphenyl)-2-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-methoxyphenyl)-2-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-methoxyphenyl)-2-(4-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC=NC=C4

InChI

InChI=1S/C22H23N3O2S/c1-27-18-8-4-3-7-17(18)25-21(26)20-16-6-2-5-9-19(16)28-22(20)24-14-15-10-12-23-13-11-15/h3-4,7-8,10-13,24H,2,5-6,9,14H2,1H3,(H,25,26)