3-(3-fluoranyl-4-methyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(3-fluoro-4-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(3-fluoro-4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thenyl)thiourea Formula: C20H27FN3OS2+ MolecularWeight: 408.576283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3)F

InChI

InChI=1S/C20H26FN3OS2/c1-16-5-6-17(14-19(16)21)22-20(26)24(15-18-4-2-13-27-18)8-3-7-23-9-11-25-12-10-23/h2,4-6,13-14H,3,7-12,15H2,1H3,(H,22,26)/p+1