S-(phenylmethyl) 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]benzenecarbothioate

Systemtic Name: S-(phenylmethyl) 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]benzenecarbothioate Openeye Name: S-benzyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzenecarbothioate CAS Name: 2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]benzenecarbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzenecarbothioate Traditional Name: 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)thiobenzoic acid S-benzyl ester Formula: C18H12F7NO2S MolecularWeight: 439.347202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)C2=CC=CC=C2NC(=O)C(C(C(F)(F)F)(F)F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)C2=CC=CC=C2NC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H12F7NO2S/c19-16(20,17(21,22)18(23,24)25)15(28)26-13-9-5-4-8-12(13)14(27)29-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,26,28)