N-(3-azanyl-3-sulfanylidene-propyl)-N-methyl-2-(4-methylsulfonylphenoxy)ethanamide

Systemtic Name: N-(3-azanyl-3-sulfanylidene-propyl)-N-methyl-2-(4-methylsulfonylphenoxy)ethanamide Openeye Name: N-(3-amino-3-thioxo-propyl)-N-methyl-2-(4-methylsulfonylphenoxy)acetamide CAS Name: N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylsulfonylphenoxy)acetamide IUPAC Name: N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylsulfonylphenoxy)acetamide Traditional Name: N-(3-amino-3-thioxo-propyl)-2-(4-mesylphenoxy)-N-methyl-acetamide Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=S)N)C(=O)COC1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CN(CCC(=S)N)C(=O)COC1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C13H18N2O4S2/c1-15(8-7-12(14)20)13(16)9-19-10-3-5-11(6-4-10)21(2,17)18/h3-6H,7-9H2,1-2H3,(H2,14,20)