N-(1-adamantyl)-2-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[2-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]thio]acetamide Formula: C29H35N3O2S MolecularWeight: 489.6721

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H35N3O2S/c33-27(30-29-17-21-14-22(18-29)16-23(15-21)19-29)20-35-26-9-5-4-8-25(26)28(34)32-12-10-31(11-13-32)24-6-2-1-3-7-24/h1-9,21-23H,10-20H2,(H,30,33)