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

Systemtic Name: 3-(2-chloranyl-4-methyl-phenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(2-chloro-4-methyl-phenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(2-chloro-4-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(2-chloro-4-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(2-chloro-4-methyl-phenyl)-1-(3-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C21H22ClFN4S MolecularWeight: 416.942583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC(=CC=C3)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC(=CC=C3)F)Cl

InChI

InChI=1S/C21H22ClFN4S/c1-16-6-7-20(19(22)12-16)25-21(28)27(10-3-9-26-11-8-24-15-26)14-17-4-2-5-18(23)13-17/h2,4-8,11-13,15H,3,9-10,14H2,1H3,(H,25,28)