N-(5-tert-butyl-2-methoxy-phenyl)-7-(pyridin-3-ylmethylamino)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-7-(pyridin-3-ylmethylamino)-1-benzothiophene-2-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-7-(3-pyridylmethylamino)benzothiophene-2-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-7-(3-pyridinylmethylamino)-1-benzothiophene-2-carboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-7-(pyridin-3-ylmethylamino)-1-benzothiophene-2-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-7-(3-pyridylmethylamino)benzothiophene-2-carboxamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(S2)C(=CC=C3)NCC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(S2)C(=CC=C3)NCC4=CN=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-26(2,3)19-10-11-22(31-4)21(14-19)29-25(30)23-13-18-8-5-9-20(24(18)32-23)28-16-17-7-6-12-27-15-17/h5-15,28H,16H2,1-4H3,(H,29,30)