2-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]amino]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-13-6-5-9-16(14(13)2)22-18(24)10-21-19(25)12-27-20-23-17-8-4-3-7-15(17)11-26-20/h3-9H,10-12H2,1-2H3,(H,21,25)(H,22,24)