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

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromanyl-benzamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-bromo-benzamide CAS Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromobenzamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-bromobenzamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-bromo-benzamide Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3OS/c23-14-11-9-13(10-12-14)21(27)26-22-19(15-5-1-4-8-18(15)28-22)20-24-16-6-2-3-7-17(16)25-20/h2-3,6-7,9-12H,1,4-5,8H2,(H,24,25)(H,26,27)