9,10,10-tris(oxidanylidene)-N-(2-piperidin-1-ylethyl)-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)C2=C3C(=CC=C2)S(=O)(=O)C4=C(C3=O)C=CC(=C4)N5CCCC5

Isomeric SMILES

C1CCN(CC1)CCNC(=O)C2=C3C(=CC=C2)S(=O)(=O)C4=C(C3=O)C=CC(=C4)N5CCCC5

InChI

InChI=1S/C25H29N3O4S/c29-24-19-10-9-18(28-14-4-5-15-28)17-22(19)33(31,32)21-8-6-7-20(23(21)24)25(30)26-11-16-27-12-2-1-3-13-27/h6-10,17H,1-5,11-16H2,(H,26,30)