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

Systemtic Name: 3-(2-chloranyl-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 3-(2-chloro-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea CAS Name: 3-(2-chloro-4-methylphenyl)-1-[3-(1-imidazolyl)propyl]-1-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 3-(2-chloro-4-methylphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 3-(2-chloro-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-p-anisyl-thiourea Formula: C22H25ClN4OS MolecularWeight: 428.9781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4OS/c1-17-4-9-21(20(23)14-17)25-22(29)27(12-3-11-26-13-10-24-16-26)15-18-5-7-19(28-2)8-6-18/h4-10,13-14,16H,3,11-12,15H2,1-2H3,(H,25,29)