N-(1-adamantyl)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]propionamide Formula: C22H35N3OS MolecularWeight: 389.5978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)C)C

InChI

InChI=1S/C22H35N3OS/c1-5-6-7-25-15(3)14(2)23-21(25)27-16(4)20(26)24-22-11-17-8-18(12-22)10-19(9-17)13-22/h16-19H,5-13H2,1-4H3,(H,24,26)