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

Systemtic Name: N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]quinoline-3-carboxamide Openeye Name: N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]quinoline-3-carboxamide CAS Name: N-[2-[4-methoxy-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]ethyl]-3-quinolinecarboxamide IUPAC Name: N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]quinoline-3-carboxamide Traditional Name: N-[2-[4-methoxy-3-(methylthiocarbamoylsulfamoyl)phenyl]ethyl]quinoline-3-carboxamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=CC3=CC=CC=C3N=C2)OC

Isomeric SMILES

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=CC3=CC=CC=C3N=C2)OC

InChI

InChI=1S/C21H22N4O4S2/c1-22-21(30)25-31(27,28)19-11-14(7-8-18(19)29-2)9-10-23-20(26)16-12-15-5-3-4-6-17(15)24-13-16/h3-8,11-13H,9-10H2,1-2H3,(H,23,26)(H2,22,25,30)