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

Systemtic Name: 3-oxidanyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Openeye Name: 3-hydroxy-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]adamantane-1-carboxamide CAS Name: 3-hydroxy-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-1-adamantanecarboxamide IUPAC Name: 3-hydroxy-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Traditional Name: 3-hydroxy-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Formula: C24H26N2O2S3 MolecularWeight: 470.67044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=CC5=C(C=C4)N=C(S5)SCCC6=CSC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=CC5=C(C=C4)N=C(S5)SCCC6=CSC=C6

InChI

InChI=1S/C24H26N2O2S3/c27-21(23-9-16-7-17(10-23)12-24(28,11-16)14-23)25-18-1-2-19-20(8-18)31-22(26-19)30-6-4-15-3-5-29-13-15/h1-3,5,8,13,16-17,28H,4,6-7,9-12,14H2,(H,25,27)