(Z)-but-2-enedioic acid; 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenothiazin-10-yl-propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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