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

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: 3-hydroxy-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]adamantane-1-carboxamide CAS Name: 3-hydroxy-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-1-adamantanecarboxamide IUPAC Name: 3-hydroxy-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Traditional Name: 3-hydroxy-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Formula: C26H28N2O3S2 MolecularWeight: 480.64212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)O

InChI

InChI=1S/C26H28N2O3S2/c1-31-21-5-3-2-4-18(21)14-32-24-28-20-7-6-19(9-22(20)33-24)27-23(29)25-10-16-8-17(11-25)13-26(30,12-16)15-25/h2-7,9,16-17,30H,8,10-15H2,1H3,(H,27,29)