(5S,7R)-3-chloranyl-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-oxo-2-(2-thienylmethylamino)ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-(2-thenylamino)ethyl]adamantane-1-carboxamide Formula: C18H23ClN2O2S MolecularWeight: 366.90542

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)NCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C18H23ClN2O2S/c19-18-7-12-4-13(8-18)6-17(5-12,11-18)16(23)21-10-15(22)20-9-14-2-1-3-24-14/h1-3,12-13H,4-11H2,(H,20,22)(H,21,23)/t12-,13+,17?,18?