3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea

Systemtic Name: 3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea CAS Name: 3-(3,4-dichlorophenyl)-1-[3-(1-imidazolyl)propyl]-1-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-p-anisyl-thiourea Formula: C21H22Cl2N4OS MolecularWeight: 449.39658

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4OS/c1-28-18-6-3-16(4-7-18)14-27(11-2-10-26-12-9-24-15-26)21(29)25-17-5-8-19(22)20(23)13-17/h3-9,12-13,15H,2,10-11,14H2,1H3,(H,25,29)