5-chloranyl-N-[2-[4-ethynyl-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide

Systemtic Name: 5-chloranyl-N-[2-[4-ethynyl-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide Openeye Name: 5-chloro-N-[2-[4-ethynyl-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide CAS Name: 5-chloro-N-[2-[4-ethynyl-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]ethyl]-2-methoxybenzamide IUPAC Name: 5-chloro-N-[2-[4-ethynyl-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide Traditional Name: 5-chloro-N-[2-[4-ethynyl-3-(methylthiocarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide Formula: C20H20ClN3O4S2 MolecularWeight: 465.9735

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)OC)C#C

Isomeric SMILES

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)OC)C#C

InChI

InChI=1S/C20H20ClN3O4S2/c1-4-14-6-5-13(11-18(14)30(26,27)24-20(29)22-2)9-10-23-19(25)16-12-15(21)7-8-17(16)28-3/h1,5-8,11-12H,9-10H2,2-3H3,(H,23,25)(H2,22,24,29)