N-[(1R)-1-(1-adamantyl)ethyl]-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetamide Formula: C21H26ClN3OS MolecularWeight: 403.96864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-12(21-8-13-4-14(9-21)6-15(5-13)10-21)23-19(26)11-27-20-24-17-3-2-16(22)7-18(17)25-20/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,23,26)(H,24,25)/t12-,13?,14?,15?,21?/m1/s1