N-[[4-chloranyl-3-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-chloranyl-3-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C26H30ClN3O3S2 MolecularWeight: 532.1177

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C26H30ClN3O3S2/c1-2-30(21-6-4-3-5-7-21)35(32,33)23-13-20(8-9-22(23)27)28-25(34)29-24(31)26-14-17-10-18(15-26)12-19(11-17)16-26/h3-9,13,17-19H,2,10-12,14-16H2,1H3,(H2,28,29,31,34)