N-(1-adamantyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]propionamide Formula: C23H35N3O2S MolecularWeight: 417.6079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)CC5CCCO5)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)CC5CCCO5)C

InChI

InChI=1S/C23H35N3O2S/c1-14-15(2)26(13-20-5-4-6-28-20)22(24-14)29-16(3)21(27)25-23-10-17-7-18(11-23)9-19(8-17)12-23/h16-20H,4-13H2,1-3H3,(H,25,27)