3-(3-chloranyl-4-methyl-phenyl)-1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-1-[2-(trifluoromethyl)benzyl]thiourea Formula: C29H25ClF3N5S MolecularWeight: 568.05551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4C(F)(F)F)Cl

InChI

InChI=1S/C29H25ClF3N5S/c1-20-6-11-24(14-27(20)30)36-28(39)37(18-23-4-2-3-5-26(23)29(31,32)33)13-12-25-16-35-19-38(25)17-22-9-7-21(15-34)8-10-22/h2-11,14,16,19H,12-13,17-18H2,1H3,(H,36,39)