(E)-but-2-enedioic acid; 10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboxamide Openeye Name: 10-[2-(2,5-dihydropyrrol-1-yl)-1-methyl-ethyl]-N-propyl-phenothiazine-2-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-propyl-2-phenothiazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]-N-propylphenothiazine-2-carboxamide Traditional Name: fumaric acid; 10-[1-methyl-2-(3-pyrrolin-1-yl)ethyl]-N-propyl-phenothiazine-2-carboxamide Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN4CC=CC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CN4CC=CC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H27N3OS.C4H4O4/c1-3-12-24-23(27)18-10-11-22-20(15-18)26(17(2)16-25-13-6-7-14-25)19-8-4-5-9-21(19)28-22;5-3(6)1-2-4(7)8/h4-11,15,17H,3,12-14,16H2,1-2H3,(H,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1+