N-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-4-methyl-2-(m-tolylmethylene)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(4-cyclohexyl-1-piperazine-1,4-diiumyl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-4-methyl-2-[(3-methylphenyl)methylidene]-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: N-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-3-keto-4-methyl-2-(3-methylbenzylidene)-1,4-benzothiazine-6-carboxamide Formula: C31H42N4O2S+2 MolecularWeight: 534.75578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)NCCC[NH+]4CC[NH+](CC4)C5CCCCC5)C

Isomeric SMILES

CC1=CC=CC(=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)NCCC[NH+]4CC[NH+](CC4)C5CCCCC5)C

InChI

InChI=1S/C31H40N4O2S/c1-23-8-6-9-24(20-23)21-29-31(37)33(2)27-22-25(12-13-28(27)38-29)30(36)32-14-7-15-34-16-18-35(19-17-34)26-10-4-3-5-11-26/h6,8-9,12-13,20-22,26H,3-5,7,10-11,14-19H2,1-2H3,(H,32,36)/p+2