N-[2-[5-oxidanyl-9-(1-prop-2-enylpiperidin-4-yl)-9H-thioxanthen-3-yl]phenyl]ethanamide

Systemtic Name: N-[2-[5-oxidanyl-9-(1-prop-2-enylpiperidin-4-yl)-9H-thioxanthen-3-yl]phenyl]ethanamide Openeye Name: N-[2-[9-(1-allyl-4-piperidyl)-5-hydroxy-9H-thioxanthen-3-yl]phenyl]acetamide CAS Name: N-[2-[5-hydroxy-9-(1-prop-2-enyl-4-piperidinyl)-9H-thioxanthen-3-yl]phenyl]acetamide IUPAC Name: N-[2-[5-hydroxy-9-(1-prop-2-enylpiperidin-4-yl)-9H-thioxanthen-3-yl]phenyl]acetamide Traditional Name: N-[2-[9-(1-allyl-4-piperidyl)-5-hydroxy-9H-thioxanthen-3-yl]phenyl]acetamide Formula: C29H30N2O2S MolecularWeight: 470.6257

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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)O)C5CCN(CC5)CC=C

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C2=CC3=C(C=C2)C(C4=C(S3)C(=CC=C4)O)C5CCN(CC5)CC=C

InChI

InChI=1S/C29H30N2O2S/c1-3-15-31-16-13-20(14-17-31)28-23-12-11-21(22-7-4-5-9-25(22)30-19(2)32)18-27(23)34-29-24(28)8-6-10-26(29)33/h3-12,18,20,28,33H,1,13-17H2,2H3,(H,30,32)