ethyl 4-[6-[(E)-N'-(methylsulfanylcarbothioylamino)carbamimidoyl]pyrazin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[(E)-N'-(methylsulfanylcarbothioylamino)carbamimidoyl]pyrazin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[(E)-N'-(methylsulfanylcarbothioylamino)carbamimidoyl]pyrazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(E)-amino-[[(methylthio)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-pyrazinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[(E)-N'-(methylsulfanylcarbothioylamino)carbamimidoyl]pyrazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(E)-N'-[(methylthio)carbothioylamino]amidino]pyrazin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C14H21N7O2S2 MolecularWeight: 383.49224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=CN=C2)C(=NNC(=S)SC)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=CN=C2)/C(=N\NC(=S)SC)/N

InChI

InChI=1S/C14H21N7O2S2/c1-3-23-14(22)21-6-4-20(5-7-21)11-9-16-8-10(17-11)12(15)18-19-13(24)25-2/h8-9H,3-7H2,1-2H3,(H2,15,18)(H,19,24)