2-isoquinolin-3-yl-N-[3-oxidanylidene-2-phenyl-3-(1,3-thiazol-2-ylamino)propyl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-isoquinolin-3-yl-N-[3-oxidanylidene-2-phenyl-3-(1,3-thiazol-2-ylamino)propyl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-(3-isoquinolyl)-N-[3-oxo-2-phenyl-3-(thiazol-2-ylamino)propyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-(3-isoquinolinyl)-N-[3-oxo-2-phenyl-3-(2-thiazolylamino)propyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-isoquinolin-3-yl-N-[3-oxo-2-phenyl-3-(1,3-thiazol-2-ylamino)propyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-(3-isoquinolyl)-N-[3-keto-2-phenyl-3-(thiazol-2-ylamino)propyl]-1H-benzimidazole-4-carboxamide Formula: C29H22N6O2S MolecularWeight: 518.58898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC5=CC=CC=C5C=N4)C(=O)NC6=NC=CS6

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC5=CC=CC=C5C=N4)C(=O)NC6=NC=CS6

InChI

InChI=1S/C29H22N6O2S/c36-27(32-17-22(18-7-2-1-3-8-18)28(37)35-29-30-13-14-38-29)21-11-6-12-23-25(21)34-26(33-23)24-15-19-9-4-5-10-20(19)16-31-24/h1-16,22H,17H2,(H,32,36)(H,33,34)(H,30,35,37)