3-(3-chloranyl-4-fluoranyl-phenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylthiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylthiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-homoveratryl-1-methyl-thiourea Formula: C18H20ClFN2O2S MolecularWeight: 382.880003

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H20ClFN2O2S/c1-22(18(25)21-13-5-6-15(20)14(19)11-13)9-8-12-4-7-16(23-2)17(10-12)24-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,25)