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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]thiourea Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]thiourea CAS Name: 3-(2-chloro-4-methoxyphenyl)-1-[3-(1-imidazolyl)propyl]-1-[(2-methoxyphenyl)methyl]thiourea IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]thiourea Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-1-(3-imidazol-1-ylpropyl)-1-o-anisyl-thiourea Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3OC)Cl

InChI

InChI=1S/C22H25ClN4O2S/c1-28-18-8-9-20(19(23)14-18)25-22(30)27(12-5-11-26-13-10-24-16-26)15-17-6-3-4-7-21(17)29-2/h3-4,6-10,13-14,16H,5,11-12,15H2,1-2H3,(H,25,30)