N-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(2-morpholino-5-morpholinosulfonyl-phenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(2-morpholino-5-morpholinosulfonyl-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C26H36N4O5S2 MolecularWeight: 548.71784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H36N4O5S2/c31-24(26-15-18-11-19(16-26)13-20(12-18)17-26)28-25(36)27-22-14-21(37(32,33)30-5-9-35-10-6-30)1-2-23(22)29-3-7-34-8-4-29/h1-2,14,18-20H,3-13,15-17H2,(H2,27,28,31,36)