methyl 1-[1-azanyl-2-cyano-3-(methylamino)-3-sulfanylidene-prop-1-enyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[1-azanyl-2-cyano-3-(methylamino)-3-sulfanylidene-prop-1-enyl]piperidine-4-carboxylate Openeye Name: methyl 1-[1-amino-2-cyano-3-(methylamino)-3-thioxo-prop-1-enyl]piperidine-4-carboxylate CAS Name: 1-[1-amino-2-cyano-3-(methylamino)-3-sulfanylideneprop-1-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-amino-2-cyano-3-(methylamino)-3-sulfanylideneprop-1-enyl]piperidine-4-carboxylate Traditional Name: 1-[1-amino-2-cyano-3-(methylamino)-3-thioxo-prop-1-enyl]isonipecotic acid methyl ester Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(=C(N)N1CCC(CC1)C(=O)OC)C#N

Isomeric SMILES

CNC(=S)C(=C(N)N1CCC(CC1)C(=O)OC)C#N

InChI

InChI=1S/C12H18N4O2S/c1-15-11(19)9(7-13)10(14)16-5-3-8(4-6-16)12(17)18-2/h8H,3-6,14H2,1-2H3,(H,15,19)