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

Systemtic Name: N-[2-[3-(methylcarbamothioylsulfamoyl)-4-(2-phenoxyethoxy)phenyl]ethyl]quinoline-3-carboxamide Openeye Name: N-[2-[3-(methylcarbamothioylsulfamoyl)-4-(2-phenoxyethoxy)phenyl]ethyl]quinoline-3-carboxamide CAS Name: N-[2-[3-[[methylamino(sulfanylidene)methyl]sulfamoyl]-4-(2-phenoxyethoxy)phenyl]ethyl]-3-quinolinecarboxamide IUPAC Name: N-[2-[3-(methylcarbamothioylsulfamoyl)-4-(2-phenoxyethoxy)phenyl]ethyl]quinoline-3-carboxamide Traditional Name: N-[2-[3-(methylthiocarbamoylsulfamoyl)-4-(2-phenoxyethoxy)phenyl]ethyl]quinoline-3-carboxamide Formula: C28H28N4O5S2 MolecularWeight: 564.67572

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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)OCCOC4=CC=CC=C4

Isomeric SMILES

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=CC3=CC=CC=C3N=C2)OCCOC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O5S2/c1-29-28(38)32-39(34,35)26-17-20(11-12-25(26)37-16-15-36-23-8-3-2-4-9-23)13-14-30-27(33)22-18-21-7-5-6-10-24(21)31-19-22/h2-12,17-19H,13-16H2,1H3,(H,30,33)(H2,29,32,38)