1-[2-[8-(hydroxymethyl)-4a,8-dimethyl-2-(methylamino)-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[8-(hydroxymethyl)-4a,8-dimethyl-2-(methylamino)-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(methylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(methylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(methylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[7-hydroxy-4a,8-dimethyl-2-(methylamino)-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetyl]isonipecotamide Formula: C23H36N4O4S MolecularWeight: 464.62134

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)N4CCC(CC4)C(=O)N)N=C(S3)NC)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)N4CCC(CC4)C(=O)N)N=C(S3)NC)(C)CO)O

InChI

InChI=1S/C23H36N4O4S/c1-22-7-4-17(29)23(2,12-28)16(22)11-15-19(26-21(25-3)32-15)14(22)10-18(30)27-8-5-13(6-9-27)20(24)31/h13-14,16-17,28-29H,4-12H2,1-3H3,(H2,24,31)(H,25,26)