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

Systemtic Name: (5S,7R)-3-acetamido-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[2-[(4-chlorophenyl)methylthio]ethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[2-[(4-chlorobenzyl)thio]ethyl]adamantane-1-carboxamide Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O2S/c1-15(26)25-22-11-17-8-18(12-22)10-21(9-17,14-22)20(27)24-6-7-28-13-16-2-4-19(23)5-3-16/h2-5,17-18H,6-14H2,1H3,(H,24,27)(H,25,26)/t17-,18+,21?,22?