N-(1-adamantylmethyl)-2-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-(3,4-dimethylphenyl)-1-phenyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-(3,4-dimethylphenyl)-1-phenylimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-(3,4-dimethylphenyl)-1-phenyl-imidazol-2-yl]thio]acetamide Formula: C30H35N3OS MolecularWeight: 485.6834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN(C(=N2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN(C(=N2)SCC(=O)NCC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C

InChI

InChI=1S/C30H35N3OS/c1-20-8-9-25(10-21(20)2)27-17-33(26-6-4-3-5-7-26)29(32-27)35-18-28(34)31-19-30-14-22-11-23(15-30)13-24(12-22)16-30/h3-10,17,22-24H,11-16,18-19H2,1-2H3,(H,31,34)