3-(3,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(3,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(3,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(3,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(3,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(3,5-dimethylphenyl)-1-(3-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C22H25FN4S MolecularWeight: 396.524103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4S/c1-17-11-18(2)13-21(12-17)25-22(28)27(9-4-8-26-10-7-24-16-26)15-19-5-3-6-20(23)14-19/h3,5-7,10-14,16H,4,8-9,15H2,1-2H3,(H,25,28)