(4-tert-butylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (4-tert-butylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[2-(trifluoromethyl)phenyl]carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-[2-(trifluoromethyl)phenyl]isothiourea Formula: C19H21F3N2S MolecularWeight: 366.44365

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC(=NC2=CC=CC=C2C(F)(F)F)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC(=NC2=CC=CC=C2C(F)(F)F)N

InChI

InChI=1S/C19H21F3N2S/c1-18(2,3)14-10-8-13(9-11-14)12-25-17(23)24-16-7-5-4-6-15(16)19(20,21)22/h4-11H,12H2,1-3H3,(H2,23,24)