ethyl 4-[(E)-1-azanyl-2-cyano-3-(methylamino)-3-sulfanylidene-prop-1-enyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-1-azanyl-2-cyano-3-(methylamino)-3-sulfanylidene-prop-1-enyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-1-amino-2-cyano-3-(methylamino)-3-thioxo-prop-1-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-amino-2-cyano-3-(methylamino)-3-sulfanylideneprop-1-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-2-cyano-3-(methylamino)-3-sulfanylideneprop-1-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-1-amino-2-cyano-3-(methylamino)-3-thioxo-prop-1-enyl]piperazine-1-carboxylic acid ethyl ester Formula: C12H19N5O2S MolecularWeight: 297.37656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=C(C#N)C(=S)NC)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)/C(=C(\C#N)/C(=S)NC)/N

InChI

InChI=1S/C12H19N5O2S/c1-3-19-12(18)17-6-4-16(5-7-17)10(14)9(8-13)11(20)15-2/h3-7,14H2,1-2H3,(H,15,20)/b10-9+