2-[(3-chlorophenyl)methylidene]-4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,4-benzothiazin-3-one

Systemtic Name: 2-[(3-chlorophenyl)methylidene]-4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,4-benzothiazin-3-one Openeye Name: 2-[(3-chlorophenyl)methylene]-4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1,4-benzothiazin-3-one CAS Name: 2-[(3-chlorophenyl)methylidene]-4-[2-(4-cyclohexyl-1-piperazin-4-iumyl)-2-oxoethyl]-1,4-benzothiazin-3-one IUPAC Name: 2-[(3-chlorophenyl)methylidene]-4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,4-benzothiazin-3-one Traditional Name: 2-(3-chlorobenzylidene)-4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1,4-benzothiazin-3-one Formula: C27H31ClN3O2S+ MolecularWeight: 497.07194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4SC(=CC5=CC(=CC=C5)Cl)C3=O

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4SC(=CC5=CC(=CC=C5)Cl)C3=O

InChI

InChI=1S/C27H30ClN3O2S/c28-21-8-6-7-20(17-21)18-25-27(33)31(23-11-4-5-12-24(23)34-25)19-26(32)30-15-13-29(14-16-30)22-9-2-1-3-10-22/h4-8,11-12,17-18,22H,1-3,9-10,13-16,19H2/p+1