ethyl 5-[[(N'-methylcarbamimidoyl)carbamoylamino]methyl]-6-sulfanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: ethyl 5-[[(N'-methylcarbamimidoyl)carbamoylamino]methyl]-6-sulfanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: ethyl 5-[[(N'-methylcarbamimidoyl)carbamoylamino]methyl]-6-thioxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 5-[[[[[amino(methylimino)methyl]amino]-oxomethyl]amino]methyl]-6-sulfanylidene-1-cyclohexa-2,4-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(N'-methylcarbamimidoyl)carbamoylamino]methyl]-6-sulfanylidenecyclohexa-2,4-diene-1-carboxylate Traditional Name: 5-[[(N'-methylamidino)carbamoylamino]methyl]-6-thioxo-cyclohexa-2,4-diene-1-carboxylic acid ethyl ester Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=CC=C(C1=S)CNC(=O)NC(=NC)N

Isomeric SMILES

CCOC(=O)C1C=CC=C(C1=S)CNC(=O)NC(=NC)N

InChI

InChI=1S/C13H18N4O3S/c1-3-20-11(18)9-6-4-5-8(10(9)21)7-16-13(19)17-12(14)15-2/h4-6,9H,3,7H2,1-2H3,(H4,14,15,16,17,19)