N-[4-(1-benzothiophen-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-(1-benzothiophen-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[4-(benzothiophen-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide CAS Name: N-[4-[(1-benzothiophen-2-ylmethylamino)-oxomethyl]-1H-benzimidazol-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-(1-benzothiophen-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[4-(benzothiophen-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Formula: C27H19N5O2S MolecularWeight: 477.53706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=NC4=C(C=CC=C4N3)C(=O)NCC5=CC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=NC4=C(C=CC=C4N3)C(=O)NCC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C27H19N5O2S/c33-25(29-15-19-12-17-7-3-4-11-23(17)35-19)20-9-5-10-21-24(20)31-27(30-21)32-26(34)22-13-16-6-1-2-8-18(16)14-28-22/h1-14H,15H2,(H,29,33)(H2,30,31,32,34)