dimethyl (E)-2-[4-(4-dimethylaminophenyl)carbothioylpiperazin-1-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[4-(4-dimethylaminophenyl)carbothioylpiperazin-1-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]but-2-enedioate CAS Name: (E)-2-[4-[(4-dimethylaminophenyl)-sulfanylidenemethyl]-1-piperazinyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]but-2-enedioate Traditional Name: (E)-2-[4-[4-(dimethylamino)thiobenzoyl]piperazino]but-2-enedioic acid dimethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)/C(=C/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-20(2)15-7-5-14(6-8-15)18(27)22-11-9-21(10-12-22)16(19(24)26-4)13-17(23)25-3/h5-8,13H,9-12H2,1-4H3/b16-13+