2-[[4-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylphenyl]methylidene]-4-[(2-methylphenyl)methyl]-1,4-benzothiazin-3-one

Systemtic Name: 2-[[4-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylphenyl]methylidene]-4-[(2-methylphenyl)methyl]-1,4-benzothiazin-3-one Openeye Name: 2-[[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)phenyl]methylene]-4-(o-tolylmethyl)-1,4-benzothiazin-3-one CAS Name: 2-[[4-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methylidene]-4-[(2-methylphenyl)methyl]-1,4-benzothiazin-3-one IUPAC Name: 2-[[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)phenyl]methylidene]-4-[(2-methylphenyl)methyl]-1,4-benzothiazin-3-one Traditional Name: 2-[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)benzylidene]-4-(2-methylbenzyl)-1,4-benzothiazin-3-one Formula: C34H38N3O2S+ MolecularWeight: 552.74942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)N5CC[NH+](CC5)C6CCCCC6)C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)N5CC[NH+](CC5)C6CCCCC6)C2=O

InChI

InChI=1S/C34H37N3O2S/c1-25-9-5-6-10-28(25)24-37-30-13-7-8-14-31(30)40-32(34(37)39)23-26-15-17-27(18-16-26)33(38)36-21-19-35(20-22-36)29-11-3-2-4-12-29/h5-10,13-18,23,29H,2-4,11-12,19-22,24H2,1H3/p+1