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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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