N-(3-methylbutyl)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)butanamide

Systemtic Name: N-(3-methylbutyl)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)butanamide Openeye Name: N-isopentyl-4-(3-methyl-5-oxo-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)butanamide CAS Name: N-(3-methylbutyl)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolo[3,4-b][1,4]thiazinyl)butanamide IUPAC Name: N-(3-methylbutyl)-4-(3-methyl-5-oxo-1-phenylpyrazolo[3,4-b][1,4]thiazin-4-yl)butanamide Traditional Name: N-isoamyl-4-(5-keto-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-4-yl)butyramide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C(=O)CS2)CCCC(=O)NCCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1N(C(=O)CS2)CCCC(=O)NCCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-15(2)11-12-22-18(26)10-7-13-24-19(27)14-28-21-20(24)16(3)23-25(21)17-8-5-4-6-9-17/h4-6,8-9,15H,7,10-14H2,1-3H3,(H,22,26)