N-[4,4-dimethyl-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]-2-methoxy-5-methyl-N-sulfanyl-benzamide

Systemtic Name: N-[4,4-dimethyl-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]-2-methoxy-5-methyl-N-sulfanyl-benzamide Openeye Name: N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolyl)-2-methoxy-5-methyl-N-sulfanyl-benzamide CAS Name: N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolinyl)-N-mercapto-2-methoxy-5-methylbenzamide IUPAC Name: N-(4,4-dimethyl-8-nitro-1,3-dioxoisoquinolin-7-yl)-2-methoxy-5-methyl-N-sulfanylbenzamide Traditional Name: N-(1,3-diketo-4,4-dimethyl-8-nitro-7-isoquinolyl)-N-mercapto-2-methoxy-5-methyl-benzamide Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)N(C2=C(C3=C(C=C2)C(C(=O)NC3=O)(C)C)[N+](=O)[O-])S

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)N(C2=C(C3=C(C=C2)C(C(=O)NC3=O)(C)C)[N+](=O)[O-])S

InChI

InChI=1S/C20H19N3O6S/c1-10-5-8-14(29-4)11(9-10)18(25)22(30)13-7-6-12-15(16(13)23(27)28)17(24)21-19(26)20(12,2)3/h5-9,30H,1-4H3,(H,21,24,26)