N-(cyclododecylideneamino)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(cyclododecylideneamino)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(cyclododecylideneamino)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(cyclododecylideneamino)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(cyclododecylideneamino)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(cyclododecylideneamino)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C25H31F3N4OS MolecularWeight: 492.60005

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)CCCCC1

Isomeric SMILES

C1CCCCCC(=NNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3)CCCCC1

InChI

InChI=1S/C25H31F3N4OS/c26-25(27,28)22-17-21(19-13-9-8-10-14-19)29-24(30-22)34-18-23(33)32-31-20-15-11-6-4-2-1-3-5-7-12-16-20/h8-10,13-14,17H,1-7,11-12,15-16,18H2,(H,32,33)