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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluoranyl-4-methyl-phenyl)-1-methyl-thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluoro-4-methyl-phenyl)-1-methyl-thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluoro-4-methylphenyl)-1-methylthiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluoro-4-methylphenyl)-1-methylthiourea Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-1-homoveratryl-1-methyl-thiourea Formula: C19H23FN2O2S MolecularWeight: 362.461523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)CCC2=CC(=C(C=C2)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(C)CCC2=CC(=C(C=C2)OC)OC)F

InChI

InChI=1S/C19H23FN2O2S/c1-13-5-7-15(12-16(13)20)21-19(25)22(2)10-9-14-6-8-17(23-3)18(11-14)24-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,25)