N-[2-(5-methoxy-9-piperidin-4-yl-9H-thioxanthen-3-yl)phenyl]ethanamide

Systemtic Name: N-[2-(5-methoxy-9-piperidin-4-yl-9H-thioxanthen-3-yl)phenyl]ethanamide Openeye Name: N-[2-[5-methoxy-9-(4-piperidyl)-9H-thioxanthen-3-yl]phenyl]acetamide CAS Name: N-[2-[5-methoxy-9-(4-piperidinyl)-9H-thioxanthen-3-yl]phenyl]acetamide IUPAC Name: N-[2-(5-methoxy-9-piperidin-4-yl-9H-thioxanthen-3-yl)phenyl]acetamide Traditional Name: N-[2-[5-methoxy-9-(4-piperidyl)-9H-thioxanthen-3-yl]phenyl]acetamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C2=CC3=C(C=C2)C(C4=C(S3)C(=CC=C4)OC)C5CCNCC5

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C2=CC3=C(C=C2)C(C4=C(S3)C(=CC=C4)OC)C5CCNCC5

InChI

InChI=1S/C27H28N2O2S/c1-17(30)29-23-8-4-3-6-20(23)19-10-11-21-25(16-19)32-27-22(7-5-9-24(27)31-2)26(21)18-12-14-28-15-13-18/h3-11,16,18,26,28H,12-15H2,1-2H3,(H,29,30)