3-(2,6-diethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 3-(2,6-diethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(2,6-diethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(2,6-diethylphenyl)-1-[(2-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(2,6-diethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(2,6-diethylphenyl)-1-(2-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C24H29FN4S MolecularWeight: 424.577263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3F

InChI

InChI=1S/C24H29FN4S/c1-3-19-10-7-11-20(4-2)23(19)27-24(30)29(15-8-14-28-16-13-26-18-28)17-21-9-5-6-12-22(21)25/h5-7,9-13,16,18H,3-4,8,14-15,17H2,1-2H3,(H,27,30)