1-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-(m-tolyl)thiourea CAS Name: 1-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(2-fluorophenyl)methyl]-3-(3-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-fluorobenzyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-(m-tolyl)thiourea Formula: C21H27FN3OS+ MolecularWeight: 388.521983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CC[NH+]2CCOCC2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CC[NH+]2CCOCC2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3OS/c1-17-5-4-7-19(15-17)23-21(27)25(10-9-24-11-13-26-14-12-24)16-18-6-2-3-8-20(18)22/h2-8,15H,9-14,16H2,1H3,(H,23,27)/p+1