(Z)-but-2-enedioic acid; 2-methyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

Systemtic Name: (Z)-but-2-enedioic acid; 2-methyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine Openeye Name: maleic acid; 2-methyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine CAS Name: (Z)-2-butenedioic acid; 2-methyl-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine IUPAC Name: (Z)-but-2-enedioic acid; 2-methyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine Traditional Name: maleic acid; 2-methyl-10-[3-(4-methylpiperazino)propyl]phenothiazine Formula: C29H35N3O8S MolecularWeight: 585.6685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(SC3=CC=CC=C3N2CCCN4CCN(CC4)C)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H27N3S.2C4H4O4/c1-17-8-9-21-19(16-17)24(18-6-3-4-7-20(18)25-21)11-5-10-23-14-12-22(2)13-15-23;2*5-3(6)1-2-4(7)8/h3-4,6-9,16H,5,10-15H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-