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

Systemtic Name: methyl N'-(2-chlorophenyl)carbonyl-N-(3,4-diaminocarbonyl-5-ethylsulfanyl-1H-pyrrol-2-yl)carbamimidothioate Openeye Name: 2-[[N-(2-chlorobenzoyl)-C-methylsulfanyl-carbonimidoyl]amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: N'-[(2-chlorophenyl)-oxomethyl]-N-[3,4-dicarbamoyl-5-(ethylthio)-1H-pyrrol-2-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2-chlorobenzoyl)-N-(3,4-dicarbamoyl-5-ethylsulfanyl-1H-pyrrol-2-yl)carbamimidothioate Traditional Name: 2-[[N-(2-chlorobenzoyl)-C-(methylthio)carbonimidoyl]amino]-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C17H18ClN5O3S2 MolecularWeight: 439.93952

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2Cl)SC)C(=O)N)C(=O)N

Isomeric SMILES

CCSC1=C(C(=C(N1)NC(=NC(=O)C2=CC=CC=C2Cl)SC)C(=O)N)C(=O)N

InChI

InChI=1S/C17H18ClN5O3S2/c1-3-28-16-11(13(20)25)10(12(19)24)14(21-16)22-17(27-2)23-15(26)8-6-4-5-7-9(8)18/h4-7,21H,3H2,1-2H3,(H2,19,24)(H2,20,25)(H,22,23,26)