(5S,7R)-3-acetamido-N-[2-(phenylmethylsulfanyl)ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[2-(phenylmethylsulfanyl)ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(2-benzylsulfanylethyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[2-(phenylmethylthio)ethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(2-benzylsulfanylethyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[2-(benzylthio)ethyl]adamantane-1-carboxamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C22H30N2O2S/c1-16(25)24-22-12-18-9-19(13-22)11-21(10-18,15-22)20(26)23-7-8-27-14-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3,(H,23,26)(H,24,25)/t18-,19+,21?,22?