3-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]propanethioamide

Systemtic Name: 3-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]propanethioamide Openeye Name: 3-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]propanethioamide CAS Name: 3-[(2,5-dimethylphenyl)sulfonyl-methylamino]propanethioamide IUPAC Name: 3-[(2,5-dimethylphenyl)sulfonyl-methylamino]propanethioamide Traditional Name: 3-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]thiopropionamide Formula: C12H18N2O2S2 MolecularWeight: 286.41352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)CCC(=S)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)CCC(=S)N

InChI

InChI=1S/C12H18N2O2S2/c1-9-4-5-10(2)11(8-9)18(15,16)14(3)7-6-12(13)17/h4-5,8H,6-7H2,1-3H3,(H2,13,17)