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

Systemtic Name: (Z)-but-2-enedioic acid; 3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenothiazin-10-yl-propan-1-one Openeye Name: maleic acid; 3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenothiazin-10-yl-propan-1-one CAS Name: (Z)-2-butenedioic acid; 3-[3-(4-methyl-1-piperazinyl)propylamino]-1-(10-phenothiazinyl)-1-propanone IUPAC Name: (Z)-but-2-enedioic acid; 3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenothiazin-10-ylpropan-1-one Traditional Name: maleic acid; 3-[3-(4-methylpiperazino)propylamino]-1-phenothiazin-10-yl-propan-1-one Formula: C35H42N4O13S MolecularWeight: 758.79198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNCCC(=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)CCCNCCC(=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/C23H30N4OS.3C4H4O4/c1-25-15-17-26(18-16-25)14-6-12-24-13-11-23(28)27-19-7-2-4-9-21(19)29-22-10-5-3-8-20(22)27;3*5-3(6)1-2-4(7)8/h2-5,7-10,24H,6,11-18H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1-