2-(1-adamantyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]acetamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3OS/c1-28-7-6-20(22-25-18-4-2-3-5-19(18)26-22)24-21(27)14-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,15-17,20H,6-14H2,1H3,(H,24,27)(H,25,26)/t15?,16?,17?,20-,23?/m0/s1