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

Systemtic Name: propan-2-yl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate chloride Openeye Name: 2-isopropyl-3-[4-(trifluoromethyl)phenyl]isothiourea chloride CAS Name: N'-[4-(trifluoromethyl)phenyl]carbamimidothioic acid propan-2-yl ester chloride IUPAC Name: propan-2-yl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate chloride Traditional Name: 2-isopropyl-3-[4-(trifluoromethyl)phenyl]isothiourea chloride Formula: C11H13ClF3N2S- MolecularWeight: 297.74753

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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/p-1