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

Systemtic Name: N-[4-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[4-(thiazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide CAS Name: N-[4-[oxo-(2-thiazolylmethylamino)methyl]-1H-benzimidazol-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[4-(thiazol-2-ylmethylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Formula: C22H16N6O2S MolecularWeight: 428.46644

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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=NC=CS5

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=NC4=C(C=CC=C4N3)C(=O)NCC5=NC=CS5

InChI

InChI=1S/C22H16N6O2S/c29-20(25-12-18-23-8-9-31-18)15-6-3-7-16-19(15)27-22(26-16)28-21(30)17-10-13-4-1-2-5-14(13)11-24-17/h1-11H,12H2,(H,25,29)(H2,26,27,28,30)