N-[(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[2-hydroxy-5-(1-piperidylsulfonyl)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[2-hydroxy-5-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(2-hydroxy-5-piperidinosulfonyl-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O4S2/c27-20-5-4-18(32(29,30)26-6-2-1-3-7-26)11-19(20)24-22(31)25-21(28)23-12-15-8-16(13-23)10-17(9-15)14-23/h4-5,11,15-17,27H,1-3,6-10,12-14H2,(H2,24,25,28,31)