4-methyl-2-(6-oxidanyl-1-oxidanylidene-isoquinolin-2-yl)-N-(phenylmethyl)-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-2-(6-oxidanyl-1-oxidanylidene-isoquinolin-2-yl)-N-(phenylmethyl)-1,3-thiazole-5-carboxamide Openeye Name: N-benzyl-2-(6-hydroxy-1-oxo-2-isoquinolyl)-4-methyl-thiazole-5-carboxamide CAS Name: 2-(6-hydroxy-1-oxo-2-isoquinolinyl)-4-methyl-N-(phenylmethyl)-5-thiazolecarboxamide IUPAC Name: N-benzyl-2-(6-hydroxy-1-oxoisoquinolin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-benzyl-2-(6-hydroxy-1-keto-2-isoquinolyl)-4-methyl-thiazole-5-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC3=C(C2=O)C=CC(=C3)O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC3=C(C2=O)C=CC(=C3)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-13-18(19(26)22-12-14-5-3-2-4-6-14)28-21(23-13)24-10-9-15-11-16(25)7-8-17(15)20(24)27/h2-11,25H,12H2,1H3,(H,22,26)