N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide Traditional Name: 4-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-homoveratryl-butyramide Formula: C23H24F3N3O4S MolecularWeight: 495.51457

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)OC

InChI

InChI=1S/C23H24F3N3O4S/c1-31-18-8-7-15(13-19(18)32-2)9-10-27-21(30)6-4-12-34-22-28-16(17-5-3-11-33-17)14-20(29-22)23(24,25)26/h3,5,7-8,11,13-14H,4,6,9-10,12H2,1-2H3,(H,27,30)