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

Systemtic Name: N-[2-[3-(methylcarbamothioylsulfamoyl)-4-phenethyloxy-phenyl]ethyl]quinoline-3-carboxamide Openeye Name: N-[2-[3-(methylcarbamothioylsulfamoyl)-4-phenethyloxy-phenyl]ethyl]quinoline-3-carboxamide CAS Name: N-[2-[3-[[methylamino(sulfanylidene)methyl]sulfamoyl]-4-phenethyloxyphenyl]ethyl]-3-quinolinecarboxamide IUPAC Name: N-[2-[3-(methylcarbamothioylsulfamoyl)-4-phenethyloxyphenyl]ethyl]quinoline-3-carboxamide Traditional Name: N-[2-[3-(methylthiocarbamoylsulfamoyl)-4-phenethyloxy-phenyl]ethyl]quinoline-3-carboxamide Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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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)OCCC4=CC=CC=C4

Isomeric SMILES

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=CC3=CC=CC=C3N=C2)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O4S2/c1-29-28(37)32-38(34,35)26-17-21(11-12-25(26)36-16-14-20-7-3-2-4-8-20)13-15-30-27(33)23-18-22-9-5-6-10-24(22)31-19-23/h2-12,17-19H,13-16H2,1H3,(H,30,33)(H2,29,32,37)