3-(2-chloranyl-5-methoxy-phenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(2-chloranyl-5-methoxy-phenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(2-chloro-5-methoxy-phenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(2-chloro-5-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(2-chloro-5-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(2-chloro-5-methoxy-phenyl)-1-(3-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C21H22ClFN4OS MolecularWeight: 432.941983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)NC(=S)N(CCCN2C=CN=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)NC(=S)N(CCCN2C=CN=C2)CC3=CC(=CC=C3)F

InChI

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