2-[8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-[(phenylmethyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-[(phenylmethyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[2-(benzylamino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(phenylmethyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[2-(benzylamino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[2-(benzylamino)-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(3-pyridylmethyl)acetamide Formula: C29H36N4O3S MolecularWeight: 520.68614

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CN=CC=C4)N=C(S3)NCC5=CC=CC=C5)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CN=CC=C4)N=C(S3)NCC5=CC=CC=C5)(C)CO)O

InChI

InChI=1S/C29H36N4O3S/c1-28-11-10-24(35)29(2,18-34)23(28)14-22-26(33-27(37-22)32-16-19-7-4-3-5-8-19)21(28)13-25(36)31-17-20-9-6-12-30-15-20/h3-9,12,15,21,23-24,34-35H,10-11,13-14,16-18H2,1-2H3,(H,31,36)(H,32,33)