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

Systemtic Name: 2-ethylsulfanyl-5-[[N-(phenylcarbonyl)-N'-propyl-carbamimidoyl]amino]-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-[(N-benzoyl-N'-propyl-carbamimidoyl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-[[benzamido(propylimino)methyl]amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-[(N-benzoyl-N'-propylcarbamimidoyl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-[(N-benzoyl-N'-propyl-amidino)amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(NC1=C(C(=C(N1)SCC)C(=O)N)C(=O)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCN=C(NC1=C(C(=C(N1)SCC)C(=O)N)C(=O)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H24N6O3S/c1-3-10-22-19(25-17(28)11-8-6-5-7-9-11)24-16-12(14(20)26)13(15(21)27)18(23-16)29-4-2/h5-9,23H,3-4,10H2,1-2H3,(H2,20,26)(H2,21,27)(H2,22,24,25,28)