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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(4-methylthiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(4-methyl-2-thiazolyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(4-methylthiazol-2-yl)benzamide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27N3O2S2/c1-14-12-30-22(24-14)25-21(28)18-4-2-3-5-19(18)29-13-20(27)26-23-9-15-6-16(10-23)8-17(7-15)11-23/h2-5,12,15-17H,6-11,13H2,1H3,(H,26,27)(H,24,25,28)