1-[4-chloranyl-3-(trifluoromethyl)phenyl]propan-2-yl-ethyl-carbamothioic S-acid

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]propan-2-yl-ethyl-carbamothioic S-acid Openeye Name: [2-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-ethyl]-ethyl-carbamothioic S-acid CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-yl-ethylcarbamothioic S-acid IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-yl-ethylcarbamothioic S-acid Traditional Name: [2-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-ethyl]-ethyl-thiocarbamic S-acid Formula: C13H15ClF3NOS MolecularWeight: 325.77751

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)CC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)S

Isomeric SMILES

CCN(C(C)CC1=CC(=C(C=C1)Cl)C(F)(F)F)C(=O)S

InChI

InChI=1S/C13H15ClF3NOS/c1-3-18(12(19)20)8(2)6-9-4-5-11(14)10(7-9)13(15,16)17/h4-5,7-8H,3,6H2,1-2H3,(H,19,20)