3-(4-chloranyl-3-methoxy-phenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(4-chloranyl-3-methoxy-phenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(4-chloro-3-methoxy-phenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(4-chloro-3-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(4-chloro-3-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(4-chloro-3-methoxy-phenyl)-1-(2-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C21H22ClFN4OS MolecularWeight: 432.941983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F)Cl

InChI

InChI=1S/C21H22ClFN4OS/c1-28-20-13-17(7-8-18(20)22)25-21(29)27(11-4-10-26-12-9-24-15-26)14-16-5-2-3-6-19(16)23/h2-3,5-9,12-13,15H,4,10-11,14H2,1H3,(H,25,29)