2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide

Systemtic Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-(4-phenoxyphenyl)butyramide Formula: C27H25N3O2S MolecularWeight: 455.5713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O2S/c1-3-25(33-26-18-24(28-19(2)29-26)20-10-6-4-7-11-20)27(31)30-21-14-16-23(17-15-21)32-22-12-8-5-9-13-22/h4-18,25H,3H2,1-2H3,(H,30,31)