N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-bromopyridine-3-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-bromo-nicotinamide Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CN=C3)Br)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CN=C3)Br)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H17BrN4OS/c22-13-9-12(10-23-11-13)20(27)26-21-18(14-5-1-4-8-17(14)28-21)19-24-15-6-2-3-7-16(15)25-19/h2-3,6-7,9-11H,1,4-5,8H2,(H,24,25)(H,26,27)