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

Systemtic Name: (5S,7R)-3-acetamido-N-[2-(4-methylphenyl)sulfanylethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[2-(p-tolylsulfanyl)ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[2-[(4-methylphenyl)thio]ethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[2-(4-methylphenyl)sulfanylethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[2-(p-tolylthio)ethyl]adamantane-1-carboxamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S/c1-15-3-5-19(6-4-15)27-8-7-23-20(26)21-10-17-9-18(11-21)13-22(12-17,14-21)24-16(2)25/h3-6,17-18H,7-14H2,1-2H3,(H,23,26)(H,24,25)/t17-,18+,21?,22?