N-(1-adamantyl)-2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(1-amino-4-phenyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(1-amino-4-phenylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(1-amino-4-phenyl-imidazol-2-yl)thio]propionamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC(=CN4N)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC(=CN4N)C5=CC=CC=C5

InChI

InChI=1S/C22H28N4OS/c1-14(28-21-24-19(13-26(21)23)18-5-3-2-4-6-18)20(27)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,13-17H,7-12,23H2,1H3,(H,25,27)