3-(2-ethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F

InChI

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