3-[cyclopentyl-[3-(trifluoromethyl)phenyl]amino]-N-(6-phenylsulfanylpyridin-2-yl)azetidine-1-carboxamide

Systemtic Name: 3-[cyclopentyl-[3-(trifluoromethyl)phenyl]amino]-N-(6-phenylsulfanylpyridin-2-yl)azetidine-1-carboxamide Openeye Name: 3-[N-cyclopentyl-3-(trifluoromethyl)anilino]-N-(6-phenylsulfanyl-2-pyridyl)azetidine-1-carboxamide CAS Name: 3-[N-cyclopentyl-3-(trifluoromethyl)anilino]-N-[6-(phenylthio)-2-pyridinyl]-1-azetidinecarboxamide IUPAC Name: 3-[N-cyclopentyl-3-(trifluoromethyl)anilino]-N-(6-phenylsulfanylpyridin-2-yl)azetidine-1-carboxamide Traditional Name: 3-[N-cyclopentyl-3-(trifluoromethyl)anilino]-N-[6-(phenylthio)-2-pyridyl]azetidine-1-carboxamide Formula: C27H27F3N4OS MolecularWeight: 512.58969

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(C2CN(C2)C(=O)NC3=NC(=CC=C3)SC4=CC=CC=C4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CCC(C1)N(C2CN(C2)C(=O)NC3=NC(=CC=C3)SC4=CC=CC=C4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C27H27F3N4OS/c28-27(29,30)19-8-6-11-21(16-19)34(20-9-4-5-10-20)22-17-33(18-22)26(35)32-24-14-7-15-25(31-24)36-23-12-2-1-3-13-23/h1-3,6-8,11-16,20,22H,4-5,9-10,17-18H2,(H,31,32,35)