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

Systemtic Name: N-[[4-[2-[(2-methoxyphenyl)sulfamoyl]piperidin-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-[2-[(2-methoxyphenyl)sulfamoyl]-1-piperidyl]phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-[2-[(2-methoxyphenyl)sulfamoyl]-1-piperidinyl]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[2-[(2-methoxyphenyl)sulfamoyl]piperidin-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-[2-[(2-methoxyphenyl)sulfamoyl]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)C2CCCCN2C3=CC=C(C=C3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2CCCCN2C3=CC=C(C=C3)NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H38N4O4S2/c1-38-26-7-3-2-6-25(26)33-40(36,37)27-8-4-5-13-34(27)24-11-9-23(10-12-24)31-29(39)32-28(35)30-17-20-14-21(18-30)16-22(15-20)19-30/h2-3,6-7,9-12,20-22,27,33H,4-5,8,13-19H2,1H3,(H2,31,32,35,39)