3-(5-chloranyl-2-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-[3-(1-imidazolyl)propyl]-1-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-p-anisyl-thiourea Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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