1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiourea Formula: C18H23F3N5OS+ MolecularWeight: 414.46833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3

InChI

InChI=1S/C18H22F3N5OS/c19-18(20,21)14-3-4-16(26-8-2-6-23-26)15(13-14)24-17(28)22-5-1-7-25-9-11-27-12-10-25/h2-4,6,8,13H,1,5,7,9-12H2,(H2,22,24,28)/p+1