ethyl 4-[(E)-2-(4-chlorophenyl)-3-morpholin-4-yl-prop-2-enethioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-2-(4-chlorophenyl)-3-morpholin-4-yl-prop-2-enethioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-2-(4-chlorophenyl)-3-morpholino-prop-2-enethioyl]piperazine-1-carboxylate CAS Name: 4-[(E)-2-(4-chlorophenyl)-3-(4-morpholinyl)-1-sulfanylideneprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(4-chlorophenyl)-3-morpholin-4-ylprop-2-enethioyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-2-(4-chlorophenyl)-3-morpholino-thioacryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)C(=CN2CCOCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)/C(=C/N2CCOCC2)/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN3O3S/c1-2-27-20(25)24-9-7-23(8-10-24)19(28)18(15-22-11-13-26-14-12-22)16-3-5-17(21)6-4-16/h3-6,15H,2,7-14H2,1H3/b18-15+