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

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-3-homoveratryl-thiourea Formula: C18H20BrFN2O2S MolecularWeight: 427.331003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC(=C(C=C2)F)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC(=C(C=C2)F)Br)OC

InChI

InChI=1S/C18H20BrFN2O2S/c1-23-16-6-4-12(10-17(16)24-2)7-8-21-18(25)22-11-13-3-5-15(20)14(19)9-13/h3-6,9-10H,7-8,11H2,1-2H3,(H2,21,22,25)