N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-methyl-1-oxidanylidene-isoquinolin-5-yl)oxy-ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-methyl-1-oxidanylidene-isoquinolin-5-yl)oxy-ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methyl-1-oxo-5-isoquinolyl)oxy]acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methyl-1-oxo-5-isoquinolinyl)oxy]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide Traditional Name: 2-[(1-keto-2-methyl-5-isoquinolyl)oxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC=CC4=C3C=CN(C4=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC=CC4=C3C=CN(C4=O)C

InChI

InChI=1S/C20H17N3O3S/c1-12-6-7-15-17(10-12)27-20(21-15)22-18(24)11-26-16-5-3-4-14-13(16)8-9-23(2)19(14)25/h3-10H,11H2,1-2H3,(H,21,22,24)