9,10,10-tris(oxidanylidene)-N-(3-piperidin-1-ylpropyl)thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(3-piperidin-1-ylpropyl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[3-(1-piperidyl)propyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[3-(1-piperidinyl)propyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(3-piperidin-1-ylpropyl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(3-piperidinopropyl)thioxanthene-3-carboxamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H24N2O4S/c25-21-17-7-2-3-8-19(17)29(27,28)20-15-16(9-10-18(20)21)22(26)23-11-6-14-24-12-4-1-5-13-24/h2-3,7-10,15H,1,4-6,11-14H2,(H,23,26)