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

Systemtic Name: 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-(4-fluorobenzyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C22H25FN4S MolecularWeight: 396.524103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCCN2C=CN=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4S/c1-2-19-6-3-4-7-21(19)25-22(28)27(14-5-13-26-15-12-24-17-26)16-18-8-10-20(23)11-9-18/h3-4,6-12,15,17H,2,5,13-14,16H2,1H3,(H,25,28)