methyl N-(3-fluorophenyl)-N'-[4-(1-imidazol-1-yl-2-methyl-propyl)phenyl]carbamimidothioate

Systemtic Name: methyl N-(3-fluorophenyl)-N'-[4-(1-imidazol-1-yl-2-methyl-propyl)phenyl]carbamimidothioate Openeye Name: 1-(3-fluorophenyl)-3-[4-(1-imidazol-1-yl-2-methyl-propyl)phenyl]-2-methyl-isothiourea CAS Name: N-(3-fluorophenyl)-N'-[4-[1-(1-imidazolyl)-2-methylpropyl]phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(3-fluorophenyl)-N'-[4-(1-imidazol-1-yl-2-methylpropyl)phenyl]carbamimidothioate Traditional Name: 1-(3-fluorophenyl)-3-[4-(1-imidazol-1-yl-2-methyl-propyl)phenyl]-2-methyl-isothiourea Formula: C21H23FN4S MolecularWeight: 382.497523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)N=C(NC2=CC(=CC=C2)F)SC)N3C=CN=C3

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)N=C(NC2=CC(=CC=C2)F)SC)N3C=CN=C3

InChI

InChI=1S/C21H23FN4S/c1-15(2)20(26-12-11-23-14-26)16-7-9-18(10-8-16)24-21(27-3)25-19-6-4-5-17(22)13-19/h4-15,20H,1-3H3,(H,24,25)