3-(4-chlorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(4-chlorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(4-chlorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(4-chlorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(4-chlorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(4-chlorophenyl)-1-(2,4-dimethoxybenzyl)-1-(3-imidazol-1-ylpropyl)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)Cl)OC

Isomeric SMILES

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

InChI

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