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

Systemtic Name: 3-(2-chloranyl-3-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 3-(2-chloro-3-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea CAS Name: 3-(2-chloro-3-methylphenyl)-1-[3-(1-imidazolyl)propyl]-1-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 3-(2-chloro-3-methylphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 3-(2-chloro-3-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(=CC=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4OS/c1-17-5-3-6-20(21(17)23)25-22(29)27(13-4-12-26-14-11-24-16-26)15-18-7-9-19(28-2)10-8-18/h3,5-11,14,16H,4,12-13,15H2,1-2H3,(H,25,29)