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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC(=C(C=C3)OC)Cl

InChI

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