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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)F

InChI

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