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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4S/c23-21-9-4-8-20(16-21)17-27(14-5-13-26-15-12-24-18-26)22(28)25-11-10-19-6-2-1-3-7-19/h1-4,6-9,12,15-16,18H,5,10-11,13-14,17H2,(H,25,28)