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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(2-chloro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-1-(2-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)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN4OS/c1-28-17-7-8-20(18(22)13-17)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)