(Z)-but-2-enedioic acid; 2-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenothiazin-10-yl-ethanone

Systemtic Name: (Z)-but-2-enedioic acid; 2-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenothiazin-10-yl-ethanone Openeye Name: maleic acid; 2-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenothiazin-10-yl-ethanone CAS Name: (Z)-2-butenedioic acid; 2-[3-(4-methyl-1-piperazinyl)propylamino]-1-(10-phenothiazinyl)ethanone IUPAC Name: (Z)-but-2-enedioic acid; 2-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenothiazin-10-ylethanone Traditional Name: maleic acid; 2-[3-(4-methylpiperazino)propylamino]-1-phenothiazin-10-yl-ethanone Formula: C34H40N4O13S MolecularWeight: 744.7654

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H28N4OS.3C4H4O4/c1-24-13-15-25(16-14-24)12-6-11-23-17-22(27)26-18-7-2-4-9-20(18)28-21-10-5-3-8-19(21)26;3*5-3(6)1-2-4(7)8/h2-5,7-10,23H,6,11-17H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1-