(Z)-but-2-enedioate; 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one

Systemtic Name: (Z)-but-2-enedioate; 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one Openeye Name: (Z)-but-2-enedioate; 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one CAS Name: (Z)-2-butenedioate; 1-[10-[3-(4-methyl-1-piperazinyl)propyl]-2-phenothiazinyl]-1-butanone IUPAC Name: (Z)-but-2-enedioate; 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one Traditional Name: 1-[10-[3-(4-methylpiperazino)propyl]phenothiazin-2-yl]butan-1-one maleate Formula: C28H33N3O5S-2 MolecularWeight: 523.64372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C24H31N3OS.C4H4O4/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26;5-3(6)1-2-4(7)8/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-