bis(4-fluorophenyl)methyl N'-butylcarbamimidothioate

Systemtic Name: bis(4-fluorophenyl)methyl N'-butylcarbamimidothioate Openeye Name: 2-[bis(4-fluorophenyl)methyl]-3-butyl-isothiourea CAS Name: N'-butylcarbamimidothioic acid bis(4-fluorophenyl)methyl ester IUPAC Name: bis(4-fluorophenyl)methyl N'-butylcarbamimidothioate Traditional Name: 2-[bis(4-fluorophenyl)methyl]-3-butyl-isothiourea Formula: C18H20F2N2S MolecularWeight: 334.426606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F2N2S/c1-2-3-12-22-18(21)23-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17H,2-3,12H2,1H3,(H2,21,22)