N-[[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-yl-phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-yl-phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[3-[(2-methoxyphenyl)sulfamoyl]-4-(1-piperidyl)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[3-[(2-methoxyphenyl)sulfamoyl]-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidino-phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C30H38N4O4S2 MolecularWeight: 582.77712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCCCC6

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCCCC6

InChI

InChI=1S/C30H38N4O4S2/c1-38-26-8-4-3-7-24(26)33-40(36,37)27-16-23(9-10-25(27)34-11-5-2-6-12-34)31-29(39)32-28(35)30-17-20-13-21(18-30)15-22(14-20)19-30/h3-4,7-10,16,20-22,33H,2,5-6,11-15,17-19H2,1H3,(H2,31,32,35,39)