N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-9,10,10-tris(oxidanylidene)-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide

Systemtic Name: N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-9,10,10-tris(oxidanylidene)-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide Openeye Name: N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-9,10,10-trioxo-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide CAS Name: N-[2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl]-9,10,10-trioxo-6-(1-pyrrolidinyl)-1-thioxanthenecarboxamide IUPAC Name: N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-9,10,10-trioxo-6-pyrrolidin-1-ylthioxanthene-1-carboxamide Traditional Name: 9,10,10-triketo-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-6-pyrrolidino-thioxanthene-1-carboxamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNC(=O)C2=C3C(=CC=C2)S(=O)(=O)C4=C(C3=O)C=CC(=C4)N5CCCC5

Isomeric SMILES

CN1CCC[C@@H]1CCNC(=O)C2=C3C(=CC=C2)S(=O)(=O)C4=C(C3=O)C=CC(=C4)N5CCCC5

InChI

InChI=1S/C25H29N3O4S/c1-27-13-5-6-17(27)11-12-26-25(30)20-7-4-8-21-23(20)24(29)19-10-9-18(28-14-2-3-15-28)16-22(19)33(21,31)32/h4,7-10,16-17H,2-3,5-6,11-15H2,1H3,(H,26,30)/t17-/m1/s1