N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(5-cyano-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(5-cyano-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]acetamide Formula: C24H29N5O3S2 MolecularWeight: 499.64876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC(=C2C#N)C)C3CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC(=C2C#N)C)C3CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N5O3S2/c1-16-7-10-19(13-21(16)34(31,32)29-11-5-3-4-6-12-29)27-22(30)15-33-24-20(14-25)17(2)26-23(28-24)18-8-9-18/h7,10,13,18H,3-6,8-9,11-12,15H2,1-2H3,(H,27,30)