2-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,5-dimethylphenyl)ethanamide Openeye Name: 2-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]-methyl-amino]-N-(2,5-dimethylphenyl)acetamide CAS Name: 2-[[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide IUPAC Name: 2-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]-methyl-amino]-N-(2,5-dimethylphenyl)acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C21H23N3O2S2/c1-14-8-9-15(2)18(10-14)22-19(25)11-24(3)20(26)13-28-21-23-17-7-5-4-6-16(17)12-27-21/h4-10H,11-13H2,1-3H3,(H,22,25)