N-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(1-methyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(1-methylbenzimidazol-2-yl)thio]propionamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5N4C

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5N4C

InChI

InChI=1S/C21H27N3OS/c1-13(26-20-22-17-5-3-4-6-18(17)24(20)2)19(25)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16H,7-12H2,1-2H3,(H,23,25)