(Z)-but-2-enedioic acid; [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: (Z)-but-2-enedioic acid; [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: maleic acid; (4-methylpiperazin-1-yl)-[2-(p-tolylsulfanyl)phenyl]methanone CAS Name: (Z)-2-butenedioic acid; [2-[(4-methylphenyl)thio]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: (Z)-but-2-enedioic acid; [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: maleic acid; (4-methylpiperazino)-[2-(p-tolylthio)phenyl]methanone Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)N3CCN(CC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)N3CCN(CC3)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H22N2OS.C4H4O4/c1-15-7-9-16(10-8-15)23-18-6-4-3-5-17(18)19(22)21-13-11-20(2)12-14-21;5-3(6)1-2-4(7)8/h3-10H,11-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-