1-heptan-2-yl-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-heptan-2-yl-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1-methylhexyl)-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-heptan-2-yl-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-heptan-2-yl-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(1-methylhexyl)-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C15H21F3N2S MolecularWeight: 318.40085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C15H21F3N2S/c1-3-4-5-8-11(2)19-14(21)20-13-10-7-6-9-12(13)15(16,17)18/h6-7,9-11H,3-5,8H2,1-2H3,(H2,19,20,21)