2-(1-adamantylsulfanyl)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-acetamide CAS Name: 2-(1-adamantylthio)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide Traditional Name: 2-(1-adamantylthio)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-acetamide Formula: C22H28N2OS2 MolecularWeight: 400.60052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N2OS2/c1-14(21-23-18-5-3-4-6-19(18)27-21)24(2)20(25)13-26-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-13H2,1-2H3/t14-,15?,16?,17?,22?/m0/s1