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

Systemtic Name: 2-methylsulfanyl-5-[[N-phenylazanyl-N'-(phenylcarbonyl)carbamimidoyl]amino]-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[(N-anilino-N'-benzoyl-carbamimidoyl)amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[benzoylimino-(phenylhydrazo)methyl]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[(N-anilino-N'-benzoylcarbamimidoyl)amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[(N-anilino-N'-benzoyl-amidino)amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C21H21N7O3S MolecularWeight: 451.50154

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2)NNC3=CC=CC=C3)C(=O)N)C(=O)N

Isomeric SMILES

CSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2)NNC3=CC=CC=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C21H21N7O3S/c1-32-20-15(17(23)30)14(16(22)29)18(24-20)25-21(28-27-13-10-6-3-7-11-13)26-19(31)12-8-4-2-5-9-12/h2-11,24,27H,1H3,(H2,22,29)(H2,23,30)(H2,25,26,28,31)