2-(methylcarbamothioylamino)-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide

Systemtic Name: 2-(methylcarbamothioylamino)-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-(methylcarbamothioylamino)-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[methylamino(sulfanylidene)methyl]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-(methylcarbamothioylamino)-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-(methylthio)-5-(methylthiocarbamoylamino)-1H-pyrrole-3,4-dicarboxamide Formula: C9H13N5O2S2 MolecularWeight: 287.36182

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=C(C(=C(N1)SC)C(=O)N)C(=O)N

Isomeric SMILES

CNC(=S)NC1=C(C(=C(N1)SC)C(=O)N)C(=O)N

InChI

InChI=1S/C9H13N5O2S2/c1-12-9(17)14-7-3(5(10)15)4(6(11)16)8(13-7)18-2/h13H,1-2H3,(H2,10,15)(H2,11,16)(H2,12,14,17)