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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-phenethyl-thiourea Openeye Name: 1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-phenethyl-thiourea CAS Name: 1-[(2-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-phenethylthiourea IUPAC Name: 1-[(2-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-phenethylthiourea Traditional Name: 1-(2-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=C3F

Isomeric SMILES

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

InChI

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