(2R)-N-(1-adamantylcarbamoyl)-2-(1H-benzimidazol-2-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-(1H-benzimidazol-2-ylsulfanyl)propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-(1H-benzimidazol-2-ylsulfanyl)propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-(1H-benzimidazol-2-ylthio)propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-(1H-benzimidazol-2-ylsulfanyl)propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-(1H-benzimidazol-2-ylthio)propionamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H26N4O2S/c1-12(28-20-22-16-4-2-3-5-17(16)23-20)18(26)24-19(27)25-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15H,6-11H2,1H3,(H,22,23)(H2,24,25,26,27)/t12-,13?,14?,15?,21?/m1/s1