2-(1-adamantyl)-N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C26H28N4OS MolecularWeight: 444.59172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C26H28N4OS/c31-23(15-26-12-16-9-17(13-26)11-18(10-16)14-26)30-25(32)27-20-7-5-19(6-8-20)24-28-21-3-1-2-4-22(21)29-24/h1-8,16-18H,9-15H2,(H,28,29)(H2,27,30,31,32)