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

Systemtic Name: (Z)-but-2-enedioic acid; (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone Openeye Name: maleic acid; (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone CAS Name: (Z)-2-butenedioic acid; (4-methyl-1-piperazinyl)-[2-(phenylthio)phenyl]methanone IUPAC Name: (Z)-but-2-enedioic acid; (4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone Traditional Name: maleic acid; (4-methylpiperazino)-[2-(phenylthio)phenyl]methanone Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20N2OS.C4H4O4/c1-19-11-13-20(14-12-19)18(21)16-9-5-6-10-17(16)22-15-7-3-2-4-8-15;5-3(6)1-2-4(7)8/h2-10H,11-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-