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

Systemtic Name: 4-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-5-one Openeye Name: 4-[4-(azepan-1-yl)-4-oxo-butyl]-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-5-one CAS Name: 4-[4-(1-azepanyl)-4-oxobutyl]-3-methyl-1-phenyl-5-pyrazolo[3,4-b][1,4]thiazinone IUPAC Name: 4-[4-(azepan-1-yl)-4-oxobutyl]-3-methyl-1-phenylpyrazolo[3,4-b][1,4]thiazin-5-one Traditional Name: 4-[4-(azepan-1-yl)-4-keto-butyl]-3-methyl-1-phenyl-pyrazolo[3,4-b][1,4]thiazin-5-one Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-17-21-22(26(23-17)18-10-5-4-6-11-18)29-16-20(28)25(21)15-9-12-19(27)24-13-7-2-3-8-14-24/h4-6,10-11H,2-3,7-9,12-16H2,1H3