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

Systemtic Name: 2-[2-(butylamino)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-cyclopentyl-ethanamide Openeye Name: 2-[2-(butylamino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-cyclopentyl-acetamide CAS Name: 2-[2-(butylamino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-cyclopentylacetamide IUPAC Name: 2-[2-(butylamino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-cyclopentylacetamide Traditional Name: 2-[2-(butylamino)-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-cyclopentyl-acetamide Formula: C25H41N3O3S MolecularWeight: 463.67634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(S1)CC3C(C2CC(=O)NC4CCCC4)(CCC(C3(C)CO)O)C

Isomeric SMILES

CCCCNC1=NC2=C(S1)CC3C(C2CC(=O)NC4CCCC4)(CCC(C3(C)CO)O)C

InChI

InChI=1S/C25H41N3O3S/c1-4-5-12-26-23-28-22-17(13-21(31)27-16-8-6-7-9-16)24(2)11-10-20(30)25(3,15-29)19(24)14-18(22)32-23/h16-17,19-20,29-30H,4-15H2,1-3H3,(H,26,28)(H,27,31)