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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-butyl-thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-butyl-thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylthiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-butylthiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-butyl-thiourea Formula: C13H14F6N2S MolecularWeight: 344.319079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCNC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H14F6N2S/c1-2-3-4-20-11(22)21-10-6-8(12(14,15)16)5-9(7-10)13(17,18)19/h5-7H,2-4H2,1H3,(H2,20,21,22)