2-methylsulfanyl-5-[[N-oxidanyl-N'-(phenylcarbonyl)carbamimidoyl]amino]-1H-pyrrole-3,4-dicarboxamide

Systemtic Name: 2-methylsulfanyl-5-[[N-oxidanyl-N'-(phenylcarbonyl)carbamimidoyl]amino]-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[(N'-benzoyl-N-hydroxy-carbamimidoyl)amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[benzoylimino-(hydroxyamino)methyl]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[(N'-benzoyl-N-hydroxycarbamimidoyl)amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[(N'-benzoyl-N-hydroxy-amidino)amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C15H16N6O4S MolecularWeight: 376.39034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2)NO)C(=O)N)C(=O)N

Isomeric SMILES

CSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2)NO)C(=O)N)C(=O)N

InChI

InChI=1S/C15H16N6O4S/c1-26-14-9(11(17)23)8(10(16)22)12(18-14)19-15(21-25)20-13(24)7-5-3-2-4-6-7/h2-6,18,25H,1H3,(H2,16,22)(H2,17,23)(H2,19,20,21,24)