3-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(3,5-dimethylphenyl)-1-(4-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C22H25FN4S MolecularWeight: 396.524103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4S/c1-17-12-18(2)14-21(13-17)25-22(28)27(10-3-9-26-11-8-24-16-26)15-19-4-6-20(23)7-5-19/h4-8,11-14,16H,3,9-10,15H2,1-2H3,(H,25,28)