6-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one CAS Name: 6-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-methyl-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one Traditional Name: 6-[4-(4-fluorobenzyl)-1,4-diazepane-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O2S/c1-15-21(27)24-19-13-17(5-8-20(19)29-15)22(28)26-10-2-9-25(11-12-26)14-16-3-6-18(23)7-4-16/h3-8,13,15H,2,9-12,14H2,1H3,(H,24,27)