(5S,7R)-3-chloranyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[(4S)-thiochroman-4-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[(4S)-thiochroman-4-yl]adamantane-1-carboxamide Formula: C20H24ClNOS MolecularWeight: 361.92866

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C20H24ClNOS/c21-20-10-13-7-14(11-20)9-19(8-13,12-20)18(23)22-16-5-6-24-17-4-2-1-3-15(16)17/h1-4,13-14,16H,5-12H2,(H,22,23)/t13-,14+,16-,19?,20?/m0/s1