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

Systemtic Name: (Z)-but-2-enedioic acid; [10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazin-2-yl]-phenyl-methanone Openeye Name: maleic acid; [10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazin-2-yl]-phenyl-methanone CAS Name: (Z)-2-butenedioic acid; [10-[4-(4-methyl-1-piperazinyl)butyl]-2-phenothiazinyl]-phenylmethanone IUPAC Name: (Z)-but-2-enedioic acid; [10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazin-2-yl]-phenylmethanone Traditional Name: maleic acid; [10-[4-(4-methylpiperazino)butyl]phenothiazin-2-yl]-phenyl-methanone Formula: C36H39N3O9S MolecularWeight: 689.77456

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCN2C3=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)CCCCN2C3=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/C28H31N3OS.2C4H4O4/c1-29-17-19-30(20-18-29)15-7-8-16-31-24-11-5-6-12-26(24)33-27-14-13-23(21-25(27)31)28(32)22-9-3-2-4-10-22;2*5-3(6)1-2-4(7)8/h2-6,9-14,21H,7-8,15-20H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-