1-(3-fluoranyl-4-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+]3CCOCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCOCC3)F

InChI

InChI=1S/C21H26FN3O2S/c1-15-3-6-17(13-19(15)22)24-21(28)23-14-20(25-9-11-27-12-10-25)16-4-7-18(26-2)8-5-16/h3-8,13,20H,9-12,14H2,1-2H3,(H2,23,24,28)/p+1/t20-/m1/s1