N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]thioxanthene-3-carboxamide Formula: C26H26N2O4S2 MolecularWeight: 494.62564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CS5

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CS5

InChI

InChI=1S/C26H26N2O4S2/c1-17-10-12-28(13-11-17)21(22-6-4-14-33-22)16-27-26(30)18-8-9-20-24(15-18)34(31,32)23-7-3-2-5-19(23)25(20)29/h2-9,14-15,17,21H,10-13,16H2,1H3,(H,27,30)