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

Systemtic Name: 5-chloranyl-N-[2-[4-(4-ethynylphenyl)-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide Openeye Name: 5-chloro-N-[2-[4-(4-ethynylphenyl)-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide CAS Name: 5-chloro-N-[2-[4-(4-ethynylphenyl)-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]ethyl]-2-methoxybenzamide IUPAC Name: 5-chloro-N-[2-[4-(4-ethynylphenyl)-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide Traditional Name: 5-chloro-N-[2-[4-(4-ethynylphenyl)-3-(methylthiocarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide Formula: C26H24ClN3O4S2 MolecularWeight: 542.06946

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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)C3=CC=C(C=C3)C#C

Isomeric SMILES

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)OC)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C26H24ClN3O4S2/c1-4-17-5-8-19(9-6-17)21-11-7-18(15-24(21)36(32,33)30-26(35)28-2)13-14-29-25(31)22-16-20(27)10-12-23(22)34-3/h1,5-12,15-16H,13-14H2,2-3H3,(H,29,31)(H2,28,30,35)