1-[2-oxidanyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[2-oxidanyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[2-hydroxy-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[2-hydroxy-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[2-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[2-hydroxy-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C20H27F3N4O2S MolecularWeight: 444.51419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C(C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)O)CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(C(C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)O)CC(=O)N3CCCC3

InChI

InChI=1S/C20H27F3N4O2S/c21-20(22,23)14-6-5-7-15(12-14)24-19(30)25-16-8-1-2-11-27(18(16)29)13-17(28)26-9-3-4-10-26/h5-7,12,16,18,29H,1-4,8-11,13H2,(H2,24,25,30)