N-(2-adamantyl)-2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(2-adamantyl)-2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(2-adamantyl)-2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-acetamide CAS Name: N-(2-adamantyl)-2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetamide Traditional Name: N-(2-adamantyl)-2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]thio]acetamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)SCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)SCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C21H27N3OS/c1-12(21-22-17-4-2-3-5-18(17)23-21)26-11-19(25)24-20-15-7-13-6-14(9-15)10-16(20)8-13/h2-5,12-16,20H,6-11H2,1H3,(H,22,23)(H,24,25)/t12-,13?,14?,15?,16?,20?/m0/s1