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

Systemtic Name: ethyl-[3-[[4-[(3-methylphenyl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-6-yl]carbonylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-benzylidene-4-(m-tolylmethyl)-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl]-ethyl-ammonium CAS Name: ethyl-[3-[[[4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylene)-1,4-benzothiazin-6-yl]-oxomethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl]-ethylazanium Traditional Name: 3-[[2-benzal-3-keto-4-(3-methylbenzyl)-1,4-benzothiazine-6-carbonyl]amino]propyl-benzyl-ethyl-ammonium Formula: C36H38N3O2S+ MolecularWeight: 576.77082

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2CC4=CC=CC(=C4)C)CC5=CC=CC=C5

Isomeric SMILES

CC[NH+](CCCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC=CC=C3)C(=O)N2CC4=CC=CC(=C4)C)CC5=CC=CC=C5

InChI

InChI=1S/C36H37N3O2S/c1-3-38(25-29-15-8-5-9-16-29)21-11-20-37-35(40)31-18-19-33-32(24-31)39(26-30-17-10-12-27(2)22-30)36(41)34(42-33)23-28-13-6-4-7-14-28/h4-10,12-19,22-24H,3,11,20-21,25-26H2,1-2H3,(H,37,40)/p+1