3-(2,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(2,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(2,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(2,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(2,5-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(2,5-dimethylphenyl)-1-(2-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C22H25FN4S MolecularWeight: 396.524103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F

InChI

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