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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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