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

Systemtic Name: (5S,7R)-N-[2-(4-bromophenyl)sulfanylethyl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[2-(4-bromophenyl)sulfanylethyl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[2-[(4-bromophenyl)thio]ethyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[2-(4-bromophenyl)sulfanylethyl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[2-[(4-bromophenyl)thio]ethyl]-3-hydroxy-adamantane-1-carboxamide Formula: C19H24BrNO2S MolecularWeight: 410.36836

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NCCSC4=CC=C(C=C4)Br

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)NCCSC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H24BrNO2S/c20-15-1-3-16(4-2-15)24-6-5-21-17(22)18-8-13-7-14(9-18)11-19(23,10-13)12-18/h1-4,13-14,23H,5-12H2,(H,21,22)/t13-,14+,18?,19?