propan-2-yl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate hydrochloride

Systemtic Name: propan-2-yl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate hydrochloride Openeye Name: 2-isopropyl-3-[4-(trifluoromethyl)phenyl]isothiourea hydrochloride CAS Name: N'-[4-(trifluoromethyl)phenyl]carbamimidothioic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate hydrochloride Traditional Name: 2-isopropyl-3-[4-(trifluoromethyl)phenyl]isothiourea hydrochloride Formula: C11H14ClF3N2S MolecularWeight: 298.75547

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(=NC1=CC=C(C=C1)C(F)(F)F)N.Cl

Isomeric SMILES

CC(C)SC(=NC1=CC=C(C=C1)C(F)(F)F)N.Cl

InChI

InChI=1S/C11H13F3N2S.ClH/c1-7(2)17-10(15)16-9-5-3-8(4-6-9)11(12,13)14;/h3-7H,1-2H3,(H2,15,16);1H