(Z)-but-2-enedioic acid; 1-(4-methylpiperazin-1-yl)-2-(2-phenylsulfanylphenyl)ethanimine; hydrate

Systemtic Name: (Z)-but-2-enedioic acid; 1-(4-methylpiperazin-1-yl)-2-(2-phenylsulfanylphenyl)ethanimine; hydrate Openeye Name: maleic acid; 1-(4-methylpiperazin-1-yl)-2-(2-phenylsulfanylphenyl)ethanimine; hydrate CAS Name: (Z)-2-butenedioic acid; 1-(4-methyl-1-piperazinyl)-2-[2-(phenylthio)phenyl]ethanimine; hydrate IUPAC Name: (Z)-but-2-enedioic acid; 1-(4-methylpiperazin-1-yl)-2-(2-phenylsulfanylphenyl)ethanimine; hydrate Traditional Name: maleic acid; [1-(4-methylpiperazino)-2-[2-(phenylthio)phenyl]ethylidene]amine; hydrate Formula: C27H33N3O9S MolecularWeight: 575.63062

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=N)CC2=CC=CC=C2SC3=CC=CC=C3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CN1CCN(CC1)C(=N)CC2=CC=CC=C2SC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.O

InChI

InChI=1S/C19H23N3S.2C4H4O4.H2O/c1-21-11-13-22(14-12-21)19(20)15-16-7-5-6-10-18(16)23-17-8-3-2-4-9-17;2*5-3(6)1-2-4(7)8;/h2-10,20H,11-15H2,1H3;2*1-2H,(H,5,6)(H,7,8);1H2/b;2*2-1-;