2-(1-benzothiophen-3-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide

Systemtic Name: 2-(1-benzothiophen-3-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide Openeye Name: 2-(benzothiophen-3-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide CAS Name: 2-(1-benzothiophen-3-ylmethylamino)-N-(4-phenoxyphenyl)-3-pyridinecarboxamide IUPAC Name: 2-(1-benzothiophen-3-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide Traditional Name: 2-(benzothiophen-3-ylmethylamino)-N-(4-phenoxyphenyl)nicotinamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CSC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CSC5=CC=CC=C54

InChI

InChI=1S/C27H21N3O2S/c31-27(30-20-12-14-22(15-13-20)32-21-7-2-1-3-8-21)24-10-6-16-28-26(24)29-17-19-18-33-25-11-5-4-9-23(19)25/h1-16,18H,17H2,(H,28,29)(H,30,31)