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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4OS/c1-27-20-5-2-4-19(14-20)24-21(28)26(12-3-11-25-13-10-23-16-25)15-17-6-8-18(22)9-7-17/h2,4-10,13-14,16H,3,11-12,15H2,1H3,(H,24,28)