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

Systemtic Name: 3-(4-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 3-(4-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea CAS Name: 3-(4-fluorophenyl)-1-[3-(1-imidazolyl)propyl]-1-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 3-(4-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 3-(4-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-1-p-anisyl-thiourea Formula: C21H23FN4OS MolecularWeight: 398.496923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4OS/c1-27-20-9-3-17(4-10-20)15-26(13-2-12-25-14-11-23-16-25)21(28)24-19-7-5-18(22)6-8-19/h3-11,14,16H,2,12-13,15H2,1H3,(H,24,28)