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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F)Cl

InChI

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