3-oxidanylidene-N-[2-[4-(phenylsulfonylcarbamothioylamino)cyclohexyl]ethyl]-1H-isoindole-2-carboxamide

Systemtic Name: 3-oxidanylidene-N-[2-[4-(phenylsulfonylcarbamothioylamino)cyclohexyl]ethyl]-1H-isoindole-2-carboxamide Openeye Name: N-[2-[4-(benzenesulfonylcarbamothioylamino)cyclohexyl]ethyl]-1-oxo-isoindoline-2-carboxamide CAS Name: N-[2-[4-[[benzenesulfonamido(sulfanylidene)methyl]amino]cyclohexyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide IUPAC Name: N-[2-[4-(benzenesulfonylcarbamothioylamino)cyclohexyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide Traditional Name: N-[2-[4-(besylthiocarbamoylamino)cyclohexyl]ethyl]-1-keto-isoindoline-2-carboxamide Formula: C24H28N4O4S2 MolecularWeight: 500.63352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCNC(=O)N2CC3=CC=CC=C3C2=O)NC(=S)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CCNC(=O)N2CC3=CC=CC=C3C2=O)NC(=S)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O4S2/c29-22-21-9-5-4-6-18(21)16-28(22)24(30)25-15-14-17-10-12-19(13-11-17)26-23(33)27-34(31,32)20-7-2-1-3-8-20/h1-9,17,19H,10-16H2,(H,25,30)(H2,26,27,33)