Synonyms
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea, AldrichCPR; AK102107; AJ-108563; CHEMBL3746712; 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R,2R)-(-)-2-(dimethylamino)cyclohexyl)thiourea (R,R-TUC); 1-[3,5-Di(trifluoromethyl)phenyl]-3-[(1beta)-2alpha-(dimethylamino)cyclohexyl]thiourea; 1-[3,5-bis(trifluoromethy) phenyl]-3-[(1R,2R)-(-)-2-(dimethylamino)cyclohexyl]thiourea; ZINC43220842; 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea; SCHEMBL812122;
IUPAC Name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea;
Molecular Weight
413.426g/mol
Molecular Formula
C17H21F6N3S;
Canonical SMILES
CN(C)C1CCCCC1NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F;
InChI
InChI=1S/C17H21F6N3S/c1-26(2)14-6-4-3-5-13(14)25-15(27)24-12-8-10(16(18,19)20)7-11(9-12)17(21,22)23/h7-9,13-14H,3-6H2,1-2H3,(H2,24,25,27)/t13-,14-/m1/s1;
InChI Key
NQRCAVZHOLYEBJ-ZIAGYGMSSA-N;
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Monoisotopic Mass
413.136g/mol
Topological Polar Surface Area
59.4A^2