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

Systemtic Name: 3-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-(3-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(=CC=C3)F

Isomeric SMILES

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

InChI

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