2-[8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-(7-hydroxy-4a,8-dimethyl-8-methylol-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl)-1-(4-methylpiperidino)ethanone Formula: C28H38N2O3S MolecularWeight: 482.67792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)C5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)C5=CC=CC=C5

InChI

InChI=1S/C28H38N2O3S/c1-18-10-13-30(14-11-18)24(33)15-20-25-21(34-26(29-25)19-7-5-4-6-8-19)16-22-27(20,2)12-9-23(32)28(22,3)17-31/h4-8,18,20,22-23,31-32H,9-17H2,1-3H3