N-[[7-ethoxy-6-(ethylcarbamothioylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-5-fluoranyl-2-methoxy-benzamide

Systemtic Name: N-[[7-ethoxy-6-(ethylcarbamothioylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-5-fluoranyl-2-methoxy-benzamide Openeye Name: N-[[7-ethoxy-6-(ethylcarbamothioylsulfamoyl)chroman-4-yl]methyl]-5-fluoro-2-methoxy-benzamide CAS Name: N-[[7-ethoxy-6-[[ethylamino(sulfanylidene)methyl]sulfamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl]methyl]-5-fluoro-2-methoxybenzamide IUPAC Name: N-[[7-ethoxy-6-(ethylcarbamothioylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-5-fluoro-2-methoxybenzamide Traditional Name: N-[[7-ethoxy-6-(ethylthiocarbamoylsulfamoyl)chroman-4-yl]methyl]-5-fluoro-2-methoxy-benzamide Formula: C23H28FN3O6S2 MolecularWeight: 525.613323

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NS(=O)(=O)C1=C(C=C2C(=C1)C(CCO2)CNC(=O)C3=C(C=CC(=C3)F)OC)OCC

Isomeric SMILES

CCNC(=S)NS(=O)(=O)C1=C(C=C2C(=C1)C(CCO2)CNC(=O)C3=C(C=CC(=C3)F)OC)OCC

InChI

InChI=1S/C23H28FN3O6S2/c1-4-25-23(34)27-35(29,30)21-11-16-14(8-9-33-19(16)12-20(21)32-5-2)13-26-22(28)17-10-15(24)6-7-18(17)31-3/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3,(H,26,28)(H2,25,27,34)