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

Systemtic Name: (2E)-6-(azepan-1-ylcarbonyl)-2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one Openeye Name: (2E)-6-(azepane-1-carbonyl)-2-[(2-chlorophenyl)methylene]-4H-1,4-benzothiazin-3-one CAS Name: (2E)-6-[1-azepanyl(oxo)methyl]-2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one IUPAC Name: (2E)-6-(azepane-1-carbonyl)-2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one Traditional Name: (2E)-6-(azepane-1-carbonyl)-2-(2-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=C4Cl)C(=O)N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)S/C(=C/C4=CC=CC=C4Cl)/C(=O)N3

InChI

InChI=1S/C22H21ClN2O2S/c23-17-8-4-3-7-15(17)14-20-21(26)24-18-13-16(9-10-19(18)28-20)22(27)25-11-5-1-2-6-12-25/h3-4,7-10,13-14H,1-2,5-6,11-12H2,(H,24,26)/b20-14+