2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(4,5-dihydrothiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(4,5-dihydrothiazol-2-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(2-thiazolin-2-yl)benzamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CSC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O2S2/c26-19(25-22-10-14-7-15(11-22)9-16(8-14)12-22)13-29-18-4-2-1-3-17(18)20(27)24-21-23-5-6-28-21/h1-4,14-16H,5-13H2,(H,25,26)(H,23,24,27)