cyclohexyl-methyl-[3-[[4-[(3-methylphenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-6-yl]carbonylamino]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[3-[[4-[(3-methylphenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-6-yl]carbonylamino]propyl]azanium Openeye Name: 3-[[2-benzylidene-4-(m-tolylmethyl)-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-methyl-[3-[[[4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylene)-1,4-benzothiazin-6-yl]-oxomethyl]amino]propyl]ammonium IUPAC Name: 3-[[2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl-cyclohexyl-methylazanium Traditional Name: 3-[[2-benzal-3-keto-4-(3-methylbenzyl)-1,4-benzothiazine-6-carbonyl]amino]propyl-cyclohexyl-methyl-ammonium Formula: C34H40N3O2S+ MolecularWeight: 554.7653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC[NH+](C)C4CCCCC4)SC(=CC5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC[NH+](C)C4CCCCC4)SC(=CC5=CC=CC=C5)C2=O

InChI

InChI=1S/C34H39N3O2S/c1-25-11-9-14-27(21-25)24-37-30-23-28(33(38)35-19-10-20-36(2)29-15-7-4-8-16-29)17-18-31(30)40-32(34(37)39)22-26-12-5-3-6-13-26/h3,5-6,9,11-14,17-18,21-23,29H,4,7-8,10,15-16,19-20,24H2,1-2H3,(H,35,38)/p+1