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

Systemtic Name: N-[2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]ethyl]quinoline-3-carboxamide Openeye Name: N-[2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]ethyl]quinoline-3-carboxamide CAS Name: N-[2-[3-[[methylamino(sulfanylidene)methyl]sulfamoyl]-4-propoxyphenyl]ethyl]-3-quinolinecarboxamide IUPAC Name: N-[2-[3-(methylcarbamothioylsulfamoyl)-4-propoxyphenyl]ethyl]quinoline-3-carboxamide Traditional Name: N-[2-[3-(methylthiocarbamoylsulfamoyl)-4-propoxy-phenyl]ethyl]quinoline-3-carboxamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=CC=CC=C3N=C2)S(=O)(=O)NC(=S)NC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=CC=CC=C3N=C2)S(=O)(=O)NC(=S)NC

InChI

InChI=1S/C23H26N4O4S2/c1-3-12-31-20-9-8-16(13-21(20)33(29,30)27-23(32)24-2)10-11-25-22(28)18-14-17-6-4-5-7-19(17)26-15-18/h4-9,13-15H,3,10-12H2,1-2H3,(H,25,28)(H2,24,27,32)