(Z)-but-2-enedioate; 2-(4-methylpiperazin-1-yl)thioxanthen-9-one

Systemtic Name: (Z)-but-2-enedioate; 2-(4-methylpiperazin-1-yl)thioxanthen-9-one Openeye Name: (Z)-but-2-enedioate; 2-(4-methylpiperazin-1-yl)thioxanthen-9-one CAS Name: (Z)-2-butenedioate; 2-(4-methyl-1-piperazinyl)-9-thioxanthenone IUPAC Name: (Z)-but-2-enedioate; 2-(4-methylpiperazin-1-yl)thioxanthen-9-one Traditional Name: 2-(4-methylpiperazino)thioxanthen-9-one maleate Formula: C22H20N2O5S-2 MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=C2)SC4=CC=CC=C4C3=O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)SC4=CC=CC=C4C3=O.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C18H18N2OS.C4H4O4/c1-19-8-10-20(11-9-19)13-6-7-17-15(12-13)18(21)14-4-2-3-5-16(14)22-17;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-