(E)-but-2-enedioic acid; N-butyl-10-[1-(diethylamino)propan-2-yl]phenothiazine-2-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-butyl-10-[1-(diethylamino)propan-2-yl]phenothiazine-2-carboxamide Openeye Name: N-butyl-10-[2-(diethylamino)-1-methyl-ethyl]phenothiazine-2-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-butyl-10-[1-(diethylamino)propan-2-yl]-2-phenothiazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-butyl-10-[1-(diethylamino)propan-2-yl]phenothiazine-2-carboxamide Traditional Name: N-butyl-10-[2-(diethylamino)-1-methyl-ethyl]phenothiazine-2-carboxamide; fumaric acid Formula: C28H37N3O5S MolecularWeight: 527.67548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN(CC)CC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN(CC)CC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H33N3OS.C4H4O4/c1-5-8-15-25-24(28)19-13-14-23-21(16-19)27(18(4)17-26(6-2)7-3)20-11-9-10-12-22(20)29-23;5-3(6)1-2-4(7)8/h9-14,16,18H,5-8,15,17H2,1-4H3,(H,25,28);1-2H,(H,5,6)(H,7,8)/b;2-1+