N-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(4-chloro-3-morpholinosulfonyl-phenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-chloro-3-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(4-chloro-3-morpholinosulfonyl-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C22H28ClN3O4S2 MolecularWeight: 498.05842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C22H28ClN3O4S2/c23-18-2-1-17(10-19(18)32(28,29)26-3-5-30-6-4-26)24-21(31)25-20(27)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-2,10,14-16H,3-9,11-13H2,(H2,24,25,27,31)