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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)N5CC[NH+](CC5)C6CCCCC6)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)N5CC[NH+](CC5)C6CCCCC6)C2=O

InChI

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