N-methyl-9,10,10-tris(oxidanylidene)-N-[(2-pyrrolidin-1-ylphenyl)methyl]thioxanthene-3-carboxamide

Systemtic Name: N-methyl-9,10,10-tris(oxidanylidene)-N-[(2-pyrrolidin-1-ylphenyl)methyl]thioxanthene-3-carboxamide Openeye Name: N-methyl-9,10,10-trioxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]thioxanthene-3-carboxamide CAS Name: N-methyl-9,10,10-trioxo-N-[[2-(1-pyrrolidinyl)phenyl]methyl]-3-thioxanthenecarboxamide IUPAC Name: N-methyl-9,10,10-trioxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-methyl-N-(2-pyrrolidinobenzyl)thioxanthene-3-carboxamide Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C26H24N2O4S/c1-27(17-19-8-2-4-10-22(19)28-14-6-7-15-28)26(30)18-12-13-21-24(16-18)33(31,32)23-11-5-3-9-20(23)25(21)29/h2-5,8-13,16H,6-7,14-15,17H2,1H3