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

Systemtic Name: N-[2-[4-(2-methoxyethoxy)-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]quinoline-3-carboxamide Openeye Name: N-[2-[4-(2-methoxyethoxy)-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]quinoline-3-carboxamide CAS Name: N-[2-[4-(2-methoxyethoxy)-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]ethyl]-3-quinolinecarboxamide IUPAC Name: N-[2-[4-(2-methoxyethoxy)-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]quinoline-3-carboxamide Traditional Name: N-[2-[4-(2-methoxyethoxy)-3-(methylthiocarbamoylsulfamoyl)phenyl]ethyl]quinoline-3-carboxamide Formula: C23H26N4O5S2 MolecularWeight: 502.60634

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5S2/c1-24-23(33)27-34(29,30)21-13-16(7-8-20(21)32-12-11-31-2)9-10-25-22(28)18-14-17-5-3-4-6-19(17)26-15-18/h3-8,13-15H,9-12H2,1-2H3,(H,25,28)(H2,24,27,33)