1-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea

Systemtic Name: 1-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-[2-(3-bromo-4-methoxy-phenyl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-[3-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-[2-(3-bromo-4-methoxy-phenyl)ethyl]-3-[3-(trifluoromethylthio)phenyl]urea Formula: C17H16BrF3N2O2S MolecularWeight: 449.28535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)NC2=CC(=CC=C2)SC(F)(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)NC2=CC(=CC=C2)SC(F)(F)F)Br

InChI

InChI=1S/C17H16BrF3N2O2S/c1-25-15-6-5-11(9-14(15)18)7-8-22-16(24)23-12-3-2-4-13(10-12)26-17(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,23,24)