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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(2-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-(2-pyridinylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(2-pyridylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2S/c1-28-18-10-9-14(23)12-17(18)26-21(27)20-16-7-2-3-8-19(16)29-22(20)25-13-15-6-4-5-11-24-15/h4-6,9-12,25H,2-3,7-8,13H2,1H3,(H,26,27)