N-[(4-methylphenyl)sulfonylmethyl]octanethioamide

Systemtic Name: N-[(4-methylphenyl)sulfonylmethyl]octanethioamide Openeye Name: N-(p-tolylsulfonylmethyl)octanethioamide CAS Name: N-[(4-methylphenyl)sulfonylmethyl]octanethioamide IUPAC Name: N-[(4-methylphenyl)sulfonylmethyl]octanethioamide Traditional Name: N-(tosylmethyl)thiocaprylamide Formula: C16H25NO2S2 MolecularWeight: 327.5052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=S)NCS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCC(=S)NCS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H25NO2S2/c1-3-4-5-6-7-8-16(20)17-13-21(18,19)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3,(H,17,20)