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

Systemtic Name: ethyl 4-[(E)-1-azanyl-2-ethoxycarbonyl-3-[(4-fluorophenyl)amino]-3-sulfanylidene-prop-1-enyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-1-amino-2-ethoxycarbonyl-3-(4-fluoroanilino)-3-thioxo-prop-1-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-amino-2-ethoxycarbonyl-3-(4-fluoroanilino)-3-sulfanylideneprop-1-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-2-ethoxycarbonyl-3-(4-fluoroanilino)-3-sulfanylideneprop-1-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-1-amino-2-carbethoxy-3-(4-fluoroanilino)-3-thioxo-prop-1-enyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25FN4O4S MolecularWeight: 424.489603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25FN4O4S/c1-3-27-18(25)15(17(29)22-14-7-5-13(20)6-8-14)16(21)23-9-11-24(12-10-23)19(26)28-4-2/h5-8H,3-4,9-12,21H2,1-2H3,(H,22,29)/b16-15-