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

Systemtic Name: 2-methylsulfanyl-5-(phenylcarbonylcarbamothioylamino)-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-(benzoylcarbamothioylamino)-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-(benzoylcarbamothioylamino)-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-(benzoylthiocarbamoylamino)-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C15H15N5O3S2 MolecularWeight: 377.4413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3S2/c1-25-14-9(11(17)22)8(10(16)21)12(18-14)19-15(24)20-13(23)7-5-3-2-4-6-7/h2-6,18H,1H3,(H2,16,21)(H2,17,22)(H2,19,20,23,24)