butyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: butyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-butyl-3-[4-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[4-(trifluoromethyl)phenyl]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-butyl-3-[4-(trifluoromethyl)phenyl]isothiourea Formula: C12H15F3N2S MolecularWeight: 276.32111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=NC1=CC=C(C=C1)C(F)(F)F)N

Isomeric SMILES

CCCCSC(=NC1=CC=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C12H15F3N2S/c1-2-3-8-18-11(16)17-10-6-4-9(5-7-10)12(13,14)15/h4-7H,2-3,8H2,1H3,(H2,16,17)