N-[2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[(6-chlorothiochroman-4-yl)amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[(6-chlorothiochroman-4-yl)amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)C=C(C=C2)Cl

InChI

InChI=1S/C22H27ClN2O2S/c23-16-1-2-19-17(8-16)18(3-4-28-19)25-20(26)12-24-21(27)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-2,8,13-15,18H,3-7,9-12H2,(H,24,27)(H,25,26)