2-[1-(1-adamantyl)-4-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[1-(1-adamantyl)-4-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[1-(1-adamantyl)-4-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[1-(1-adamantyl)-4-(4-chlorophenyl)-2-imidazolyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[1-(1-adamantyl)-4-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[1-(1-adamantyl)-4-(4-chlorophenyl)imidazol-2-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C28H30ClN3O2S MolecularWeight: 508.0747

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=CN2C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=CN2C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H30ClN3O2S/c1-34-24-8-6-23(7-9-24)30-26(33)17-35-27-31-25(21-2-4-22(29)5-3-21)16-32(27)28-13-18-10-19(14-28)12-20(11-18)15-28/h2-9,16,18-20H,10-15,17H2,1H3,(H,30,33)