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

Systemtic Name: 2-ethylsulfanyl-5-[[N-oxidanyl-N'-(phenylcarbonyl)carbamimidoyl]amino]-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[(N'-benzoyl-N-hydroxy-carbamimidoyl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[benzoylimino-(hydroxyamino)methyl]amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[(N'-benzoyl-N-hydroxycarbamimidoyl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[(N'-benzoyl-N-hydroxy-amidino)amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C16H18N6O4S MolecularWeight: 390.41692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2)NO)C(=O)N)C(=O)N

Isomeric SMILES

CCSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2)NO)C(=O)N)C(=O)N

InChI

InChI=1S/C16H18N6O4S/c1-2-27-15-10(12(18)24)9(11(17)23)13(19-15)20-16(22-26)21-14(25)8-6-4-3-5-7-8/h3-7,19,26H,2H2,1H3,(H2,17,23)(H2,18,24)(H2,20,21,22,25)