3-butyl-1-(2-cyanoethyl)-1-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 3-butyl-1-(2-cyanoethyl)-1-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 3-butyl-1-(2-cyanoethyl)-1-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 3-butyl-1-(2-cyanoethyl)-1-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 3-butyl-1-(2-cyanoethyl)-1-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 3-butyl-1-(2-cyanoethyl)-1-[3-(trifluoromethyl)phenyl]thiourea Formula: C15H18F3N3S MolecularWeight: 329.38373

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CCC#N)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CCCCNC(=S)N(CCC#N)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C15H18F3N3S/c1-2-3-9-20-14(22)21(10-5-8-19)13-7-4-6-12(11-13)15(16,17)18/h4,6-7,11H,2-3,5,9-10H2,1H3,(H,20,22)