1-(3-methylbutyl)-3-[[4-(trifluoromethyloxy)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[[4-(trifluoromethyloxy)phenyl]carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[[4-(trifluoromethoxy)benzoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[oxo-[4-(trifluoromethoxy)phenyl]methyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[4-(trifluoromethoxy)benzoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[4-(trifluoromethoxy)benzoyl]amino]thiourea Formula: C14H18F3N3O2S MolecularWeight: 349.37183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC=C(C=C1)OC(F)(F)F

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC=C(C=C1)OC(F)(F)F

InChI

InChI=1S/C14H18F3N3O2S/c1-9(2)7-8-18-13(23)20-19-12(21)10-3-5-11(6-4-10)22-14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,19,21)(H2,18,20,23)