6-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-2-[(4-ethoxy-3-methoxy-phenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one

Systemtic Name: 6-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-2-[(4-ethoxy-3-methoxy-phenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one Openeye Name: 6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-[(4-ethoxy-3-methoxy-phenyl)methylene]-4-methyl-1,4-benzothiazin-3-one CAS Name: 6-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one IUPAC Name: 6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one Traditional Name: 6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-(4-ethoxy-3-methoxy-benzylidene)-4-methyl-1,4-benzothiazin-3-one Formula: C30H38N3O4S+ MolecularWeight: 536.70542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CC[NH+](CC4)C5CCCCC5)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CC[NH+](CC4)C5CCCCC5)C)OC

InChI

InChI=1S/C30H37N3O4S/c1-4-37-25-12-10-21(18-26(25)36-3)19-28-30(35)31(2)24-20-22(11-13-27(24)38-28)29(34)33-16-14-32(15-17-33)23-8-6-5-7-9-23/h10-13,18-20,23H,4-9,14-17H2,1-3H3/p+1