3-acetamido-N-(4-cyclopentylsulfanylphenyl)adamantane-1-carboxamide

Systemtic Name: 3-acetamido-N-(4-cyclopentylsulfanylphenyl)adamantane-1-carboxamide Openeye Name: 3-acetamido-N-(4-cyclopentylsulfanylphenyl)adamantane-1-carboxamide CAS Name: 3-acetamido-N-[4-(cyclopentylthio)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-acetamido-N-(4-cyclopentylsulfanylphenyl)adamantane-1-carboxamide Traditional Name: 3-acetamido-N-[4-(cyclopentylthio)phenyl]adamantane-1-carboxamide Formula: C24H32N2O2S MolecularWeight: 412.58808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC=C(C=C4)SC5CCCC5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC=C(C=C4)SC5CCCC5

InChI

InChI=1S/C24H32N2O2S/c1-16(27)26-24-13-17-10-18(14-24)12-23(11-17,15-24)22(28)25-19-6-8-21(9-7-19)29-20-4-2-3-5-20/h6-9,17-18,20H,2-5,10-15H2,1H3,(H,25,28)(H,26,27)