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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea CAS Name: 3-(3-chloro-4-methoxyphenyl)-1-[3-(1-imidazolyl)propyl]-1-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-p-anisyl-thiourea Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H25ClN4O2S/c1-28-19-7-4-17(5-8-19)15-27(12-3-11-26-13-10-24-16-26)22(30)25-18-6-9-21(29-2)20(23)14-18/h4-10,13-14,16H,3,11-12,15H2,1-2H3,(H,25,30)