N-[(1R)-1-(1-adamantyl)ethyl]-4-(1H-benzimidazol-2-ylsulfanyl)butanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(1H-benzimidazol-2-ylsulfanyl)butanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(1H-benzimidazol-2-ylsulfanyl)butanamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(1H-benzimidazol-2-ylthio)butanamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(1H-benzimidazol-2-ylsulfanyl)butanamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(1H-benzimidazol-2-ylthio)butyramide Formula: C23H31N3OS MolecularWeight: 397.57674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCCSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CCCSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H31N3OS/c1-15(23-12-16-9-17(13-23)11-18(10-16)14-23)24-21(27)7-4-8-28-22-25-19-5-2-3-6-20(19)26-22/h2-3,5-6,15-18H,4,7-14H2,1H3,(H,24,27)(H,25,26)/t15-,16?,17?,18?,23?/m1/s1