methyl N-(3,4-diaminocarbonyl-5-methylsulfanyl-1H-pyrrol-2-yl)-N'-(phenylcarbonyl)carbamimidothioate

Systemtic Name: methyl N-(3,4-diaminocarbonyl-5-methylsulfanyl-1H-pyrrol-2-yl)-N'-(phenylcarbonyl)carbamimidothioate Openeye Name: 2-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: N'-benzoyl-N-[3,4-dicarbamoyl-5-(methylthio)-1H-pyrrol-2-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzoyl-N-(3,4-dicarbamoyl-5-methylsulfanyl-1H-pyrrol-2-yl)carbamimidothioate Traditional Name: 2-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2)SC)C(=O)N)C(=O)N

Isomeric SMILES

CSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2)SC)C(=O)N)C(=O)N

InChI

InChI=1S/C16H17N5O3S2/c1-25-15-10(12(18)23)9(11(17)22)13(19-15)20-16(26-2)21-14(24)8-6-4-3-5-7-8/h3-7,19H,1-2H3,(H2,17,22)(H2,18,23)(H,20,21,24)