(5S,7R)-3-acetamido-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[2-(p-tolylmethylsulfanyl)ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[2-[(4-methylphenyl)methylthio]ethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[2-[(4-methylbenzyl)thio]ethyl]adamantane-1-carboxamide Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C23H32N2O2S/c1-16-3-5-18(6-4-16)14-28-8-7-24-21(27)22-10-19-9-20(11-22)13-23(12-19,15-22)25-17(2)26/h3-6,19-20H,7-15H2,1-2H3,(H,24,27)(H,25,26)/t19-,20+,22?,23?