methyl (1Z)-N-[3,5-bis(trifluoromethyl)phenyl]sulfonylazepane-1-carboximidothioate

Systemtic Name: methyl (1Z)-N-[3,5-bis(trifluoromethyl)phenyl]sulfonylazepane-1-carboximidothioate Openeye Name: methyl (1Z)-N-[3,5-bis(trifluoromethyl)phenyl]sulfonylazepane-1-carboximidothioate CAS Name: (1Z)-N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-azepanecarboximidothioic acid methyl ester IUPAC Name: methyl (1Z)-N-[3,5-bis(trifluoromethyl)phenyl]sulfonylazepane-1-carboximidothioate Traditional Name: (1Z)-N-[3,5-bis(trifluoromethyl)phenyl]sulfonylazepane-1-carboximidothioic acid methyl ester Formula: C16H18F6N2O2S2 MolecularWeight: 448.446739

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N2CCCCCC2

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)/N2CCCCCC2

InChI

InChI=1S/C16H18F6N2O2S2/c1-27-14(24-6-4-2-3-5-7-24)23-28(25,26)13-9-11(15(17,18)19)8-12(10-13)16(20,21)22/h8-10H,2-7H2,1H3/b23-14-