3-(5-chloranyl-2-methoxy-phenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(5-chloro-2-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-1-(4-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C21H22ClFN4OS MolecularWeight: 432.941983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN4OS/c1-28-20-8-5-17(22)13-19(20)25-21(29)27(11-2-10-26-12-9-24-15-26)14-16-3-6-18(23)7-4-16/h3-9,12-13,15H,2,10-11,14H2,1H3,(H,25,29)