2-isoquinolin-3-yl-N-[3-oxidanylidene-2-phenyl-3-(1,3-thiazol-2-ylamino)propyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-isoquinolin-3-yl-N-[3-oxidanylidene-2-phenyl-3-(1,3-thiazol-2-ylamino)propyl]-3H-benzimidazole-5-carboxamide Openeye Name: 2-(3-isoquinolyl)-N-[3-oxo-2-phenyl-3-(thiazol-2-ylamino)propyl]-3H-benzimidazole-5-carboxamide CAS Name: 2-(3-isoquinolinyl)-N-[3-oxo-2-phenyl-3-(2-thiazolylamino)propyl]-3H-benzimidazole-5-carboxamide IUPAC Name: 2-isoquinolin-3-yl-N-[3-oxo-2-phenyl-3-(1,3-thiazol-2-ylamino)propyl]-3H-benzimidazole-5-carboxamide Traditional Name: 2-(3-isoquinolyl)-N-[3-keto-2-phenyl-3-(thiazol-2-ylamino)propyl]-3H-benzimidazole-5-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=CC3=C(C=C2)N=C(N3)C4=CC5=CC=CC=C5C=N4)C(=O)NC6=NC=CS6

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC5=CC=CC=C5C=N4)C(=O)NC6=NC=CS6

InChI

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