(5S,7R)-3-chloranyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-methyl-N-[[4-(methylthio)phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-methyl-N-[4-(methylthio)benzyl]adamantane-1-carboxamide Formula: C20H26ClNOS MolecularWeight: 363.94454

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H26ClNOS/c1-22(12-14-3-5-17(24-2)6-4-14)18(23)19-8-15-7-16(9-19)11-20(21,10-15)13-19/h3-6,15-16H,7-13H2,1-2H3/t15-,16+,19?,20?