4-[2-(methylsulfonylamino)ethylamino]quinoline-3-carbothioamide

Systemtic Name: 4-[2-(methylsulfonylamino)ethylamino]quinoline-3-carbothioamide Openeye Name: 4-[2-(methanesulfonamido)ethylamino]quinoline-3-carbothioamide CAS Name: 4-[2-(methanesulfonamido)ethylamino]-3-quinolinecarbothioamide IUPAC Name: 4-[2-(methanesulfonamido)ethylamino]quinoline-3-carbothioamide Traditional Name: 4-[2-(methanesulfonamido)ethylamino]quinoline-3-carbothioamide Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCNC1=C(C=NC2=CC=CC=C21)C(=S)N

Isomeric SMILES

CS(=O)(=O)NCCNC1=C(C=NC2=CC=CC=C21)C(=S)N

InChI

InChI=1S/C13H16N4O2S2/c1-21(18,19)17-7-6-15-12-9-4-2-3-5-11(9)16-8-10(12)13(14)20/h2-5,8,17H,6-7H2,1H3,(H2,14,20)(H,15,16)