N-[(4-methylphenyl)methyl]-9,10,10-tris(oxidanylidene)-6-piperidin-1-yl-thioxanthene-1-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-9,10,10-tris(oxidanylidene)-6-piperidin-1-yl-thioxanthene-1-carboxamide Openeye Name: 9,10,10-trioxo-6-(1-piperidyl)-N-(p-tolylmethyl)thioxanthene-1-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-9,10,10-trioxo-6-(1-piperidinyl)-1-thioxanthenecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-9,10,10-trioxo-6-piperidin-1-ylthioxanthene-1-carboxamide Traditional Name: 9,10,10-triketo-N-(4-methylbenzyl)-6-piperidino-thioxanthene-1-carboxamide Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C3C(=CC=C2)S(=O)(=O)C4=C(C3=O)C=CC(=C4)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C3C(=CC=C2)S(=O)(=O)C4=C(C3=O)C=CC(=C4)N5CCCCC5

InChI

InChI=1S/C27H26N2O4S/c1-18-8-10-19(11-9-18)17-28-27(31)22-6-5-7-23-25(22)26(30)21-13-12-20(16-24(21)34(23,32)33)29-14-3-2-4-15-29/h5-13,16H,2-4,14-15,17H2,1H3,(H,28,31)