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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-octan-3-yl-thiourea Openeye Name: 3-(1-ethylhexyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-octan-3-ylthiourea Traditional Name: 3-(1-ethylhexyl)-1-(4-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C22H33FN4S MolecularWeight: 404.587623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1C=CN=C1)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1C=CN=C1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C22H33FN4S/c1-3-5-6-8-21(4-2)25-22(28)27(15-7-14-26-16-13-24-18-26)17-19-9-11-20(23)12-10-19/h9-13,16,18,21H,3-8,14-15,17H2,1-2H3,(H,25,28)