N-[2-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]ethyl]-3-oxidanylidene-1H-isoindole-2-carboxamide

Systemtic Name: N-[2-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]ethyl]-3-oxidanylidene-1H-isoindole-2-carboxamide Openeye Name: N-[2-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]ethyl]-1-oxo-isoindoline-2-carboxamide CAS Name: N-[2-[4-[[(cyclohexylamino)-sulfanylidenemethyl]sulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide IUPAC Name: N-[2-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide Traditional Name: N-[2-[4-(cyclohexylthiocarbamoylsulfamoyl)phenyl]ethyl]-1-keto-isoindoline-2-carboxamide Formula: C24H28N4O4S2 MolecularWeight: 500.63352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H28N4O4S2/c29-22-21-9-5-4-6-18(21)16-28(22)24(30)25-15-14-17-10-12-20(13-11-17)34(31,32)27-23(33)26-19-7-2-1-3-8-19/h4-6,9-13,19H,1-3,7-8,14-16H2,(H,25,30)(H2,26,27,33)