1-[(1-phenyl-2-prop-2-ynylsulfanyl-ethyl)amino]-3-[4-(trifluoromethyloxy)phenyl]urea

Systemtic Name: 1-[(1-phenyl-2-prop-2-ynylsulfanyl-ethyl)amino]-3-[4-(trifluoromethyloxy)phenyl]urea Openeye Name: 1-[(1-phenyl-2-prop-2-ynylsulfanyl-ethyl)amino]-3-[4-(trifluoromethoxy)phenyl]urea CAS Name: 1-[[1-phenyl-2-(prop-2-ynylthio)ethyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea IUPAC Name: 1-[(1-phenyl-2-prop-2-ynylsulfanylethyl)amino]-3-[4-(trifluoromethoxy)phenyl]urea Traditional Name: 1-[[1-phenyl-2-(propargylthio)ethyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSCC(C1=CC=CC=C1)NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C#CCSCC(C1=CC=CC=C1)NNC(=O)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C19H18F3N3O2S/c1-2-12-28-13-17(14-6-4-3-5-7-14)24-25-18(26)23-15-8-10-16(11-9-15)27-19(20,21)22/h1,3-11,17,24H,12-13H2,(H2,23,25,26)