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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-2-phenyl-propyl]-2-isoquinolin-3-yl-1H-benzimidazole-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxo-2-phenyl-propyl]-2-(3-isoquinolyl)-1H-benzimidazole-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxo-2-phenylpropyl]-2-(3-isoquinolinyl)-1H-benzimidazole-4-carboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxo-2-phenylpropyl]-2-isoquinolin-3-yl-1H-benzimidazole-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-keto-2-phenyl-propyl]-2-(3-isoquinolyl)-1H-benzimidazole-4-carboxamide Formula: C33H24N6O2S MolecularWeight: 568.64766

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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=NC7=CC=CC=C7S6

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=NC7=CC=CC=C7S6

InChI

InChI=1S/C33H24N6O2S/c40-31(23-13-8-15-26-29(23)38-30(36-26)27-17-21-11-4-5-12-22(21)18-34-27)35-19-24(20-9-2-1-3-10-20)32(41)39-33-37-25-14-6-7-16-28(25)42-33/h1-18,24H,19H2,(H,35,40)(H,36,38)(H,37,39,41)