N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[[2-(p-tolyl)-1H-indol-3-yl]sulfanyl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]thio]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[[2-(p-tolyl)-1H-indol-3-yl]thio]ethyl]adamantane-1-carboxamide Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N2OS/c1-18-6-8-22(9-7-18)25-26(23-4-2-3-5-24(23)30-25)32-11-10-29-27(31)28-15-19-12-20(16-28)14-21(13-19)17-28/h2-9,19-21,30H,10-17H2,1H3,(H,29,31)