3-[4-chloranyl-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-[4-chloranyl-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(3-pyridylmethyl)thiourea CAS Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-(3-pyridylmethyl)thiourea Formula: C19H19ClF3N3S MolecularWeight: 413.88747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClF3N3S/c20-14-7-8-17(16(10-14)19(21,22)23)25-18(27)26(15-5-1-2-6-15)12-13-4-3-9-24-11-13/h3-4,7-11,15H,1-2,5-6,12H2,(H,25,27)