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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)N(CCCN2C=CN=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H25FN4S/c1-18(20-8-3-2-4-9-20)25-22(28)27(13-6-12-26-14-11-24-17-26)16-19-7-5-10-21(23)15-19/h2-5,7-11,14-15,17-18H,6,12-13,16H2,1H3,(H,25,28)