N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: 3-hydroxy-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide CAS Name: 3-hydroxy-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-1-adamantanecarboxamide IUPAC Name: 3-hydroxy-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Traditional Name: 3-hydroxy-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C22H28N2O4S2/c1-27-4-5-28-13-29-20-24-17-3-2-16(7-18(17)30-20)23-19(25)21-8-14-6-15(9-21)11-22(26,10-14)12-21/h2-3,7,14-15,26H,4-6,8-13H2,1H3,(H,23,25)