(Z)-but-2-enedioic acid; [10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]-phenyl-methanone

Systemtic Name: (Z)-but-2-enedioic acid; [10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]-phenyl-methanone Openeye Name: maleic acid; [10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]-phenyl-methanone CAS Name: (Z)-2-butenedioic acid; [10-[3-(4-methyl-1-piperazinyl)propyl]-2-phenothiazinyl]-phenylmethanone IUPAC Name: (Z)-but-2-enedioic acid; [10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]-phenylmethanone Traditional Name: maleic acid; [10-[3-(4-methylpiperazino)propyl]phenothiazin-2-yl]-phenyl-methanone Formula: C35H37N3O9S MolecularWeight: 675.74798

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C3=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)CCCN2C3=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/C27H29N3OS.2C4H4O4/c1-28-16-18-29(19-17-28)14-7-15-30-23-10-5-6-11-25(23)32-26-13-12-22(20-24(26)30)27(31)21-8-3-2-4-9-21;2*5-3(6)1-2-4(7)8/h2-6,8-13,20H,7,14-19H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-