1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-butylphenyl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-butylphenyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-butylphenyl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-butylphenyl)thiourea Formula: C19H18F6N2S MolecularWeight: 420.415039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F6N2S/c1-2-3-4-12-5-7-15(8-6-12)26-17(28)27-16-10-13(18(20,21)22)9-14(11-16)19(23,24)25/h5-11H,2-4H2,1H3,(H2,26,27,28)