2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(1,3-benzothiazol-2-yl)benzamide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H27N3O2S2/c30-23(29-26-12-16-9-17(13-26)11-18(10-16)14-26)15-32-21-7-3-1-5-19(21)24(31)28-25-27-20-6-2-4-8-22(20)33-25/h1-8,16-18H,9-15H2,(H,29,30)(H,27,28,31)