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

Systemtic Name: ethyl 4-[(E)-1-azanyl-2-cyano-3-[(4-fluorophenyl)amino]-3-sulfanylidene-prop-1-enyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-1-amino-2-cyano-3-(4-fluoroanilino)-3-thioxo-prop-1-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-amino-2-cyano-3-(4-fluoroanilino)-3-sulfanylideneprop-1-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-2-cyano-3-(4-fluoroanilino)-3-sulfanylideneprop-1-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-1-amino-2-cyano-3-(4-fluoroanilino)-3-thioxo-prop-1-enyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H20FN5O2S MolecularWeight: 377.436403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN5O2S/c1-2-25-17(24)23-9-7-22(8-10-23)15(20)14(11-19)16(26)21-13-5-3-12(18)4-6-13/h3-6H,2,7-10,20H2,1H3,(H,21,26)/b15-14+