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

Systemtic Name: (Z)-but-2-enedioic acid; 3-butoxy-10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazine Openeye Name: 3-butoxy-10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazine; maleic acid CAS Name: (Z)-2-butenedioic acid; 3-butoxy-10-[4-(4-methyl-1-piperazinyl)butyl]phenothiazine IUPAC Name: (Z)-but-2-enedioic acid; 3-butoxy-10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazine Traditional Name: 3-butoxy-10-[4-(4-methylpiperazino)butyl]phenothiazine; maleic acid Formula: C33H43N3O9S MolecularWeight: 657.77422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N(C3=CC=CC=C3S2)CCCCN4CCN(CC4)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=CC2=C(N(C3=CC=CC=C3S2)CCCCN4CCN(CC4)C)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C25H35N3OS.2C4H4O4/c1-3-4-19-29-21-11-12-23-25(20-21)30-24-10-6-5-9-22(24)28(23)14-8-7-13-27-17-15-26(2)16-18-27;2*5-3(6)1-2-4(7)8/h5-6,9-12,20H,3-4,7-8,13-19H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-