4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-5-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-5-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-5-one CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-3-methyl-1-phenyl-5-pyrazolo[3,4-b][1,4]thiazinone IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-3-methyl-1-phenylpyrazolo[3,4-b][1,4]thiazin-5-one Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-5-one Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C(=O)CS2)CC(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1N(C(=O)CS2)CC(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N4O2S/c1-15-19-20(24(21-15)16-9-5-4-6-10-16)27-14-18(26)23(19)13-17(25)22-11-7-2-3-8-12-22/h4-6,9-10H,2-3,7-8,11-14H2,1H3