2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3S2)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3S2)C4CCCCC4)C

InChI

InChI=1S/C22H24N4OS2/c1-14-15(2)26(16-8-4-3-5-9-16)21(17(14)12-23)25-20(27)13-28-22-24-18-10-6-7-11-19(18)29-22/h6-7,10-11,16H,3-5,8-9,13H2,1-2H3,(H,25,27)