1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(2-methoxy-5-methyl-phenyl)thiourea

Systemtic Name: 1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[(3-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-(3-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N(CCCN2C=CN=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N(CCCN2C=CN=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H25FN4OS/c1-17-7-8-21(28-2)20(13-17)25-22(29)27(11-4-10-26-12-9-24-16-26)15-18-5-3-6-19(23)14-18/h3,5-9,12-14,16H,4,10-11,15H2,1-2H3,(H,25,29)