3-[isoquinolin-5-ylsulfonyl(methyl)amino]propanethioamide

Systemtic Name: 3-[isoquinolin-5-ylsulfonyl(methyl)amino]propanethioamide Openeye Name: 3-[5-isoquinolylsulfonyl(methyl)amino]propanethioamide CAS Name: 3-[5-isoquinolinylsulfonyl(methyl)amino]propanethioamide IUPAC Name: 3-[isoquinolin-5-ylsulfonyl(methyl)amino]propanethioamide Traditional Name: 3-[5-isoquinolylsulfonyl(methyl)amino]thiopropionamide Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=S)N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CN(CCC(=S)N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C13H15N3O2S2/c1-16(8-6-13(14)19)20(17,18)12-4-2-3-10-9-15-7-5-11(10)12/h2-5,7,9H,6,8H2,1H3,(H2,14,19)