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

Systemtic Name: methyl N'-(2-chlorophenyl)carbonyl-N-(3,4-diaminocarbonyl-5-methylsulfanyl-1H-pyrrol-2-yl)carbamimidothioate Openeye Name: 2-[[N-(2-chlorobenzoyl)-C-methylsulfanyl-carbonimidoyl]amino]-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: N'-[(2-chlorophenyl)-oxomethyl]-N-[3,4-dicarbamoyl-5-(methylthio)-1H-pyrrol-2-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2-chlorobenzoyl)-N-(3,4-dicarbamoyl-5-methylsulfanyl-1H-pyrrol-2-yl)carbamimidothioate Traditional Name: 2-[[N-(2-chlorobenzoyl)-C-(methylthio)carbonimidoyl]amino]-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C16H16ClN5O3S2 MolecularWeight: 425.91294

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2Cl)SC)C(=O)N)C(=O)N

Isomeric SMILES

CSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2Cl)SC)C(=O)N)C(=O)N

InChI

InChI=1S/C16H16ClN5O3S2/c1-26-15-10(12(19)24)9(11(18)23)13(20-15)21-16(27-2)22-14(25)7-5-3-4-6-8(7)17/h3-6,20H,1-2H3,(H2,18,23)(H2,19,24)(H,21,22,25)