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

Systemtic Name: 2-methylsulfanyl-5-(phenylcarbamothioylamino)-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-methylsulfanyl-5-(phenylcarbamothioylamino)-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-methylsulfanyl-5-(phenylcarbamothioylamino)-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-(methylthio)-5-(phenylthiocarbamoylamino)-1H-pyrrole-3,4-dicarboxamide Formula: C14H15N5O2S2 MolecularWeight: 349.4312

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(N1)NC(=S)NC2=CC=CC=C2)C(=O)N)C(=O)N

Isomeric SMILES

CSC1=C(C(=C(N1)NC(=S)NC2=CC=CC=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C14H15N5O2S2/c1-23-13-9(11(16)21)8(10(15)20)12(18-13)19-14(22)17-7-5-3-2-4-6-7/h2-6,18H,1H3,(H2,15,20)(H2,16,21)(H2,17,19,22)