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

Systemtic Name: methyl N-(3,4-diaminocarbonyl-5-ethylsulfanyl-1H-pyrrol-2-yl)-N'-(phenylcarbonyl)carbamimidothioate Openeye Name: 2-[(N-benzoyl-C-methylsulfanyl-carbonimidoyl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: N'-benzoyl-N-[3,4-dicarbamoyl-5-(ethylthio)-1H-pyrrol-2-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzoyl-N-(3,4-dicarbamoyl-5-ethylsulfanyl-1H-pyrrol-2-yl)carbamimidothioate Traditional Name: 2-[[N-benzoyl-C-(methylthio)carbonimidoyl]amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C17H19N5O3S2 MolecularWeight: 405.49446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3S2/c1-3-27-16-11(13(19)24)10(12(18)23)14(20-16)21-17(26-2)22-15(25)9-7-5-4-6-8-9/h4-8,20H,3H2,1-2H3,(H2,18,23)(H2,19,24)(H,21,22,25)