N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(3-oxidanyl-1-adamantyl)ethanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(3-oxidanyl-1-adamantyl)ethanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide Traditional Name: N-(6-chlorothiochroman-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide Formula: C21H26ClNO2S MolecularWeight: 391.95464

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)CC34CC5CC(C3)CC(C5)(C4)O)C=C(C=C2)Cl

InChI

InChI=1S/C21H26ClNO2S/c22-15-1-2-18-16(6-15)17(3-4-26-18)23-19(24)11-20-7-13-5-14(8-20)10-21(25,9-13)12-20/h1-2,6,13-14,17,25H,3-5,7-12H2,(H,23,24)