(Z)-but-2-enedioic acid; [10-[8-(4-methylpiperazin-1-yl)octyl]phenothiazin-2-yl]-phenyl-methanone

Systemtic Name: (Z)-but-2-enedioic acid; [10-[8-(4-methylpiperazin-1-yl)octyl]phenothiazin-2-yl]-phenyl-methanone Openeye Name: maleic acid; [10-[8-(4-methylpiperazin-1-yl)octyl]phenothiazin-2-yl]-phenyl-methanone CAS Name: (Z)-2-butenedioic acid; [10-[8-(4-methyl-1-piperazinyl)octyl]-2-phenothiazinyl]-phenylmethanone IUPAC Name: (Z)-but-2-enedioic acid; [10-[8-(4-methylpiperazin-1-yl)octyl]phenothiazin-2-yl]-phenylmethanone Traditional Name: maleic acid; [10-[8-(4-methylpiperazino)octyl]phenothiazin-2-yl]-phenyl-methanone Formula: C40H47N3O9S MolecularWeight: 745.88088

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCCCCCCN2C3=C(SC4=CC=CC=C24)C=CC(=C3)C(=O)C5=CC=CC=C5.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C32H39N3OS.2C4H4O4/c1-33-21-23-34(24-22-33)19-11-4-2-3-5-12-20-35-28-15-9-10-16-30(28)37-31-18-17-27(25-29(31)35)32(36)26-13-7-6-8-14-26;2*5-3(6)1-2-4(7)8/h6-10,13-18,25H,2-5,11-12,19-24H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-