2-[[N'-butyl-N-(2-chlorophenyl)carbonyl-carbamimidoyl]amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide

Systemtic Name: 2-[[N'-butyl-N-(2-chlorophenyl)carbonyl-carbamimidoyl]amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[[N'-butyl-N-(2-chlorobenzoyl)carbamimidoyl]amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[butylimino-[[(2-chlorophenyl)-oxomethyl]amino]methyl]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[[N'-butyl-N-(2-chlorobenzoyl)carbamimidoyl]amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[[N'-butyl-N-(2-chlorobenzoyl)amidino]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C19H23ClN6O3S MolecularWeight: 450.94232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NC1=C(C(=C(N1)SC)C(=O)N)C(=O)N)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCN=C(NC1=C(C(=C(N1)SC)C(=O)N)C(=O)N)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H23ClN6O3S/c1-3-4-9-23-19(26-17(29)10-7-5-6-8-11(10)20)25-16-12(14(21)27)13(15(22)28)18(24-16)30-2/h5-8,24H,3-4,9H2,1-2H3,(H2,21,27)(H2,22,28)(H2,23,25,26,29)