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

Systemtic Name: 2-ethylsulfanyl-5-[[N-phenylazanyl-N'-(phenylcarbonyl)carbamimidoyl]amino]-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[(N-anilino-N'-benzoyl-carbamimidoyl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[benzoylimino-(phenylhydrazo)methyl]amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[(N-anilino-N'-benzoylcarbamimidoyl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[(N-anilino-N'-benzoyl-amidino)amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C22H23N7O3S MolecularWeight: 465.52812

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2)NNC3=CC=CC=C3)C(=O)N)C(=O)N

Isomeric SMILES

CCSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2)NNC3=CC=CC=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C22H23N7O3S/c1-2-33-21-16(18(24)31)15(17(23)30)19(25-21)26-22(29-28-14-11-7-4-8-12-14)27-20(32)13-9-5-3-6-10-13/h3-12,25,28H,2H2,1H3,(H2,23,30)(H2,24,31)(H2,26,27,29,32)