1-(4-butylphenyl)-3-[2-fluoranyl-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[2-fluoranyl-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]thiourea Formula: C18H18F4N2S MolecularWeight: 370.407533

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)F

InChI

InChI=1S/C18H18F4N2S/c1-2-3-4-12-5-8-14(9-6-12)23-17(25)24-16-11-13(18(20,21)22)7-10-15(16)19/h5-11H,2-4H2,1H3,(H2,23,24,25)