3-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 3-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea Openeye Name: 3-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-1-(p-tolylmethyl)thiourea CAS Name: 3-(2-fluorophenyl)-1-[3-(1-imidazolyl)propyl]-1-[(4-methylphenyl)methyl]thiourea IUPAC Name: 3-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea Traditional Name: 3-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-1-(4-methylbenzyl)thiourea Formula: C21H23FN4S MolecularWeight: 382.497523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C21H23FN4S/c1-17-7-9-18(10-8-17)15-26(13-4-12-25-14-11-23-16-25)21(27)24-20-6-3-2-5-19(20)22/h2-3,5-11,14,16H,4,12-13,15H2,1H3,(H,24,27)