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

Systemtic Name: 3-(4-ethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(4-ethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(4-ethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(4-ethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-(3-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)-3-p-phenetyl-thiourea Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H25FN4OS/c1-2-28-21-9-7-20(8-10-21)25-22(29)27(13-4-12-26-14-11-24-17-26)16-18-5-3-6-19(23)15-18/h3,5-11,14-15,17H,2,4,12-13,16H2,1H3,(H,25,29)