(Z)-but-2-enedioic acid; [10-[6-(4-methylpiperazin-1-yl)hexyl]phenothiazin-2-yl]-phenyl-methanone

Systemtic Name: (Z)-but-2-enedioic acid; [10-[6-(4-methylpiperazin-1-yl)hexyl]phenothiazin-2-yl]-phenyl-methanone Openeye Name: maleic acid; [10-[6-(4-methylpiperazin-1-yl)hexyl]phenothiazin-2-yl]-phenyl-methanone CAS Name: (Z)-2-butenedioic acid; [10-[6-(4-methyl-1-piperazinyl)hexyl]-2-phenothiazinyl]-phenylmethanone IUPAC Name: (Z)-but-2-enedioic acid; [10-[6-(4-methylpiperazin-1-yl)hexyl]phenothiazin-2-yl]-phenylmethanone Traditional Name: maleic acid; [10-[6-(4-methylpiperazino)hexyl]phenothiazin-2-yl]-phenyl-methanone Formula: C38H43N3O9S MolecularWeight: 717.82772

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCCN2C3=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)CCCCCCN2C3=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/C30H35N3OS.2C4H4O4/c1-31-19-21-32(22-20-31)17-9-2-3-10-18-33-26-13-7-8-14-28(26)35-29-16-15-25(23-27(29)33)30(34)24-11-5-4-6-12-24;2*5-3(6)1-2-4(7)8/h4-8,11-16,23H,2-3,9-10,17-22H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-