butan-2-yl-cyclohexyl-[2-[[3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl]azanium

Systemtic Name: butan-2-yl-cyclohexyl-[2-[[3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl]azanium Openeye Name: 2-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-cyclohexyl-sec-butyl-ammonium CAS Name: butan-2-yl-cyclohexyl-[2-[[oxo-[3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazin-6-yl]methyl]amino]ethyl]ammonium IUPAC Name: 2-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-butan-2-yl-cyclohexylazanium Traditional Name: 2-[(2-benzal-3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-cyclohexyl-sec-butyl-ammonium Formula: C28H36N3O2S+ MolecularWeight: 478.66934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](CCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2)C4CCCCC4

Isomeric SMILES

CCC(C)[NH+](CCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2)C4CCCCC4

InChI

InChI=1S/C28H35N3O2S/c1-3-20(2)31(23-12-8-5-9-13-23)17-16-29-27(32)22-14-15-25-24(19-22)30-28(33)26(34-25)18-21-10-6-4-7-11-21/h4,6-7,10-11,14-15,18-20,23H,3,5,8-9,12-13,16-17H2,1-2H3,(H,29,32)(H,30,33)/p+1