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

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide CAS Name: N-[4-[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]-1H-benzimidazol-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Formula: C26H18N6O2S MolecularWeight: 478.52512

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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=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=NC4=C(C=CC=C4N3)C(=O)NCC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H18N6O2S/c33-24(28-14-22-29-18-9-3-4-11-21(18)35-22)17-8-5-10-19-23(17)31-26(30-19)32-25(34)20-12-15-6-1-2-7-16(15)13-27-20/h1-13H,14H2,(H,28,33)(H2,30,31,32,34)