3-[4-[6-bromanyl-4-(butylamino)pyridin-2-yl]sulfanyl-3-(trifluoromethyl)phenyl]-1-but-3-enyl-1-methyl-urea

Systemtic Name: 3-[4-[6-bromanyl-4-(butylamino)pyridin-2-yl]sulfanyl-3-(trifluoromethyl)phenyl]-1-but-3-enyl-1-methyl-urea Openeye Name: 3-[4-[[6-bromo-4-(butylamino)-2-pyridyl]sulfanyl]-3-(trifluoromethyl)phenyl]-1-but-3-enyl-1-methyl-urea CAS Name: 3-[4-[[6-bromo-4-(butylamino)-2-pyridinyl]thio]-3-(trifluoromethyl)phenyl]-1-but-3-enyl-1-methylurea IUPAC Name: 3-[4-[6-bromo-4-(butylamino)pyridin-2-yl]sulfanyl-3-(trifluoromethyl)phenyl]-1-but-3-enyl-1-methylurea Traditional Name: 3-[4-[[6-bromo-4-(butylamino)-2-pyridyl]thio]-3-(trifluoromethyl)phenyl]-1-but-3-enyl-1-methyl-urea Formula: C22H26BrF3N4OS MolecularWeight: 531.43225

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=NC(=C1)Br)SC2=C(C=C(C=C2)NC(=O)N(C)CCC=C)C(F)(F)F

Isomeric SMILES

CCCCNC1=CC(=NC(=C1)Br)SC2=C(C=C(C=C2)NC(=O)N(C)CCC=C)C(F)(F)F

InChI

InChI=1S/C22H26BrF3N4OS/c1-4-6-10-27-16-13-19(23)29-20(14-16)32-18-9-8-15(12-17(18)22(24,25)26)28-21(31)30(3)11-7-5-2/h5,8-9,12-14H,2,4,6-7,10-11H2,1,3H3,(H,27,29)(H,28,31)