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

Systemtic Name: (E)-but-2-enedioic acid; 10-[1-(diethylamino)propan-2-yl]-N-ethyl-phenothiazine-2-carboxamide Openeye Name: 10-[2-(diethylamino)-1-methyl-ethyl]-N-ethyl-phenothiazine-2-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 10-[1-(diethylamino)propan-2-yl]-N-ethyl-2-phenothiazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 10-[1-(diethylamino)propan-2-yl]-N-ethylphenothiazine-2-carboxamide Traditional Name: 10-[2-(diethylamino)-1-methyl-ethyl]-N-ethyl-phenothiazine-2-carboxamide; fumaric acid Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=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/C22H29N3OS.C4H4O4/c1-5-23-22(26)17-12-13-21-19(14-17)25(16(4)15-24(6-2)7-3)18-10-8-9-11-20(18)27-21;5-3(6)1-2-4(7)8/h8-14,16H,5-7,15H2,1-4H3,(H,23,26);1-2H,(H,5,6)(H,7,8)/b;2-1+