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

Systemtic Name: (E)-but-2-enedioic acid; 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine Openeye Name: fumaric acid; 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine CAS Name: (E)-2-butenedioic acid; 10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine IUPAC Name: (E)-but-2-enedioic acid; 10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine Traditional Name: fumaric acid; 10-[3-(4-methylpiperazino)propyl]phenothiazine Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25N3S.C4H4O4/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23;5-3(6)1-2-4(7)8/h2-5,7-10H,6,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+