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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCCN2C3=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/C21H27N3S.2C4H4O4/c1-22-14-16-23(17-15-22)12-6-7-13-24-18-8-2-4-10-20(18)25-21-11-5-3-9-19(21)24;2*5-3(6)1-2-4(7)8/h2-5,8-11H,6-7,12-17H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-