N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]cyclohexene-1-carboxamide

Systemtic Name: N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]cyclohexene-1-carboxamide Openeye Name: N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]cyclohexene-1-carboxamide CAS Name: N-[2-[4-methoxy-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]ethyl]-1-cyclohexenecarboxamide IUPAC Name: N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]cyclohexene-1-carboxamide Traditional Name: N-[2-[4-methoxy-3-(methylthiocarbamoylsulfamoyl)phenyl]ethyl]cyclohexene-1-carboxamide Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=CCCCC2)OC

Isomeric SMILES

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=CCCCC2)OC

InChI

InChI=1S/C18H25N3O4S2/c1-19-18(26)21-27(23,24)16-12-13(8-9-15(16)25-2)10-11-20-17(22)14-6-4-3-5-7-14/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,20,22)(H2,19,21,26)