methyl N'-[3-(4-fluorophenyl)-3-phenyl-butyl]carbamimidothioate

Systemtic Name: methyl N'-[3-(4-fluorophenyl)-3-phenyl-butyl]carbamimidothioate Openeye Name: 3-[3-(4-fluorophenyl)-3-phenyl-butyl]-2-methyl-isothiourea CAS Name: N'-[3-(4-fluorophenyl)-3-phenylbutyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-(4-fluorophenyl)-3-phenylbutyl]carbamimidothioate Traditional Name: 3-[3-(4-fluorophenyl)-3-phenyl-butyl]-2-methyl-isothiourea Formula: C18H21FN2S MolecularWeight: 316.436143

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN=C(N)SC)(C1=CC=CC=C1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(CCN=C(N)SC)(C1=CC=CC=C1)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN2S/c1-18(12-13-21-17(20)22-2,14-6-4-3-5-7-14)15-8-10-16(19)11-9-15/h3-11H,12-13H2,1-2H3,(H2,20,21)