(5S,7R)-3-bromanyl-N-(3-methylsulfanylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(3-methylsulfanylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(3-methylsulfanylphenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[3-(methylthio)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(3-methylsulfanylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-[3-(methylthio)phenyl]adamantane-1-carboxamide Formula: C18H22BrNOS MolecularWeight: 380.34238

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C18H22BrNOS/c1-22-15-4-2-3-14(6-15)20-16(21)17-7-12-5-13(8-17)10-18(19,9-12)11-17/h2-4,6,12-13H,5,7-11H2,1H3,(H,20,21)/t12-,13+,17?,18?