1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methoxy-4-methyl-phenyl)thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methoxy-4-methyl-phenyl)thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methoxy-4-methyl-phenyl)thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-(3-methoxy-4-methylphenyl)thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methoxy-4-methylphenyl)thiourea Traditional Name: 1-(4-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)-3-(3-methoxy-4-methyl-phenyl)thiourea Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4OS/c1-17-4-9-20(14-21(17)28-2)25-22(29)27(12-3-11-26-13-10-24-16-26)15-18-5-7-19(23)8-6-18/h4-10,13-14,16H,3,11-12,15H2,1-2H3,(H,25,29)