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

Systemtic Name: ethyl 4-[(E)-1-azanyl-2-cyano-3-phenylazanyl-3-sulfanylidene-prop-1-enyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-1-amino-3-anilino-2-cyano-3-thioxo-prop-1-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-amino-3-anilino-2-cyano-3-sulfanylideneprop-1-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-3-anilino-2-cyano-3-sulfanylideneprop-1-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-1-amino-3-anilino-2-cyano-3-thioxo-prop-1-enyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=C(C#N)C(=S)NC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)/C(=C(\C#N)/C(=S)NC2=CC=CC=C2)/N

InChI

InChI=1S/C17H21N5O2S/c1-2-24-17(23)22-10-8-21(9-11-22)15(19)14(12-18)16(25)20-13-6-4-3-5-7-13/h3-7H,2,8-11,19H2,1H3,(H,20,25)/b15-14+