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

Systemtic Name: (Z)-but-2-enedioic acid; 3-(4-methylpiperazin-1-yl)-1-phenothiazin-10-yl-propan-1-one Openeye Name: maleic acid; 3-(4-methylpiperazin-1-yl)-1-phenothiazin-10-yl-propan-1-one CAS Name: (Z)-2-butenedioic acid; 3-(4-methyl-1-piperazinyl)-1-(10-phenothiazinyl)-1-propanone IUPAC Name: (Z)-but-2-enedioic acid; 3-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylpropan-1-one Traditional Name: maleic acid; 3-(4-methylpiperazino)-1-phenothiazin-10-yl-propan-1-one Formula: C28H31N3O9S MolecularWeight: 585.62544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3OS.2C4H4O4/c1-21-12-14-22(15-13-21)11-10-20(24)23-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)23;2*5-3(6)1-2-4(7)8/h2-9H,10-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-