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

Systemtic Name: 3-(2-chloranyl-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]thiourea Openeye Name: 3-(2-chloro-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(o-tolylmethyl)thiourea CAS Name: 3-(2-chloro-4-methylphenyl)-1-[3-(1-imidazolyl)propyl]-1-[(2-methylphenyl)methyl]thiourea IUPAC Name: 3-(2-chloro-4-methylphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]thiourea Traditional Name: 3-(2-chloro-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-(2-methylbenzyl)thiourea Formula: C22H25ClN4S MolecularWeight: 412.9787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3C)Cl

InChI

InChI=1S/C22H25ClN4S/c1-17-8-9-21(20(23)14-17)25-22(28)27(12-5-11-26-13-10-24-16-26)15-19-7-4-3-6-18(19)2/h3-4,6-10,13-14,16H,5,11-12,15H2,1-2H3,(H,25,28)