N-[2-[[3-(3-hydroxyphenyl)-2-methylidene-1-adamantyl]oxy]ethyl]-6-oxidanyl-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[2-[[3-(3-hydroxyphenyl)-2-methylidene-1-adamantyl]oxy]ethyl]-6-oxidanyl-1,3-benzothiazole-2-carboxamide Openeye Name: 6-hydroxy-N-[2-[[3-(3-hydroxyphenyl)-2-methylene-1-adamantyl]oxy]ethyl]-1,3-benzothiazole-2-carboxamide CAS Name: 6-hydroxy-N-[2-[[3-(3-hydroxyphenyl)-2-methylene-1-adamantyl]oxy]ethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: 6-hydroxy-N-[2-[[3-(3-hydroxyphenyl)-2-methylidene-1-adamantyl]oxy]ethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: 6-hydroxy-N-[2-[[3-(3-hydroxyphenyl)-2-methylene-1-adamantyl]oxy]ethyl]-1,3-benzothiazole-2-carboxamide Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2(CC3CC(C2)CC1(C3)OCCNC(=O)C4=NC5=C(S4)C=C(C=C5)O)C6=CC(=CC=C6)O

Isomeric SMILES

C=C1C2(CC3CC(C2)CC1(C3)OCCNC(=O)C4=NC5=C(S4)C=C(C=C5)O)C6=CC(=CC=C6)O

InChI

InChI=1S/C27H28N2O4S/c1-16-26(19-3-2-4-20(30)10-19)12-17-9-18(13-26)15-27(16,14-17)33-8-7-28-24(32)25-29-22-6-5-21(31)11-23(22)34-25/h2-6,10-11,17-18,30-31H,1,7-9,12-15H2,(H,28,32)