2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]acetamide IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C24H22N4OS2 MolecularWeight: 446.58768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3CS2)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3CS2)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H22N4OS2/c1-16-17(2)28(13-18-8-4-3-5-9-18)23(20(16)12-25)27-22(29)15-31-24-26-21-11-7-6-10-19(21)14-30-24/h3-11H,13-15H2,1-2H3,(H,27,29)