methyl (4Z)-N-(4-isothiocyanatophenyl)sulfonylmorpholine-4-carboximidothioate

Systemtic Name: methyl (4Z)-N-(4-isothiocyanatophenyl)sulfonylmorpholine-4-carboximidothioate Openeye Name: methyl (4Z)-N-(4-isothiocyanatophenyl)sulfonylmorpholine-4-carboximidothioate CAS Name: (4Z)-N-(4-isothiocyanatophenyl)sulfonyl-4-morpholinecarboximidothioic acid methyl ester IUPAC Name: methyl (4Z)-N-(4-isothiocyanatophenyl)sulfonylmorpholine-4-carboximidothioate Traditional Name: (4Z)-N-(4-isothiocyanatophenyl)sulfonylmorpholine-4-carboximidothioic acid methyl ester Formula: C13H15N3O3S3 MolecularWeight: 357.4715

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=C(C=C1)N=C=S)N2CCOCC2

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=C(C=C1)N=C=S)/N2CCOCC2

InChI

InChI=1S/C13H15N3O3S3/c1-21-13(16-6-8-19-9-7-16)15-22(17,18)12-4-2-11(3-5-12)14-10-20/h2-5H,6-9H2,1H3/b15-13-