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

Systemtic Name: N-[[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-yl-phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholino-phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[5-[(2-methoxyphenyl)sulfamoyl]-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholino-phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C29H36N4O5S2 MolecularWeight: 584.74994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H36N4O5S2/c1-37-26-5-3-2-4-23(26)32-40(35,36)22-6-7-25(33-8-10-38-11-9-33)24(15-22)30-28(39)31-27(34)29-16-19-12-20(17-29)14-21(13-19)18-29/h2-7,15,19-21,32H,8-14,16-18H2,1H3,(H2,30,31,34,39)