3-butan-2-yl-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-butan-2-yl-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-sec-butyl-thiourea CAS Name: 3-butan-2-yl-1-[(4-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-butan-2-yl-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-(4-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)-3-sec-butyl-thiourea Formula: C18H25FN4S MolecularWeight: 348.481303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN4S/c1-3-15(2)21-18(24)23(11-4-10-22-12-9-20-14-22)13-16-5-7-17(19)8-6-16/h5-9,12,14-15H,3-4,10-11,13H2,1-2H3,(H,21,24)