3-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(4-pyridylmethyl)thiourea CAS Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(4-pyridylmethyl)thiourea Formula: C19H19ClF3N3S MolecularWeight: 413.88747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=NC=C2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCC(C1)N(CC2=CC=NC=C2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H19ClF3N3S/c20-17-6-5-14(11-16(17)19(21,22)23)25-18(27)26(15-3-1-2-4-15)12-13-7-9-24-10-8-13/h5-11,15H,1-4,12H2,(H,25,27)