(2E)-6-(azepan-1-ylcarbonyl)-2-[(3-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one

Systemtic Name: (2E)-6-(azepan-1-ylcarbonyl)-2-[(3-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one Openeye Name: (2E)-6-(azepane-1-carbonyl)-2-[(3-chlorophenyl)methylene]-4H-1,4-benzothiazin-3-one CAS Name: (2E)-6-[1-azepanyl(oxo)methyl]-2-[(3-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one IUPAC Name: (2E)-6-(azepane-1-carbonyl)-2-[(3-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one Traditional Name: (2E)-6-(azepane-1-carbonyl)-2-(3-chlorobenzylidene)-4H-1,4-benzothiazin-3-one Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)Cl)C(=O)N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC(=CC=C4)Cl)/C(=O)N3

InChI

InChI=1S/C22H21ClN2O2S/c23-17-7-5-6-15(12-17)13-20-21(26)24-18-14-16(8-9-19(18)28-20)22(27)25-10-3-1-2-4-11-25/h5-9,12-14H,1-4,10-11H2,(H,24,26)/b20-13+