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

Systemtic Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]methylidene]-4-[(2-methylphenyl)methyl]-1,4-benzothiazin-3-one Openeye Name: 2-[[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methylene]-4-(o-tolylmethyl)-1,4-benzothiazin-3-one CAS Name: 2-[[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methylidene]-4-[(2-methylphenyl)methyl]-1,4-benzothiazin-3-one IUPAC Name: 2-[[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methylidene]-4-[(2-methylphenyl)methyl]-1,4-benzothiazin-3-one Traditional Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbonyl)benzylidene]-4-(2-methylbenzyl)-1,4-benzothiazin-3-one Formula: C30H32N3O2S+ MolecularWeight: 498.65898

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C=C3C(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C=C3C(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5C

InChI

InChI=1S/C30H31N3O2S/c1-3-31-16-18-32(19-17-31)29(34)24-14-12-23(13-15-24)20-28-30(35)33(21-25-9-5-4-8-22(25)2)26-10-6-7-11-27(26)36-28/h4-15,20H,3,16-19,21H2,1-2H3/p+1