2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]-N-(1-thiophen-3-ylpropyl)ethanamide

Systemtic Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]-N-(1-thiophen-3-ylpropyl)ethanamide Openeye Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]-N-[1-(3-thienyl)propyl]acetamide CAS Name: 2-[3-[[methylamino(sulfanylidene)methyl]sulfamoyl]-4-propoxyphenyl]-N-[1-(3-thiophenyl)propyl]acetamide IUPAC Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxyphenyl]-N-(1-thiophen-3-ylpropyl)acetamide Traditional Name: 2-[3-(methylthiocarbamoylsulfamoyl)-4-propoxy-phenyl]-N-[1-(3-thienyl)propyl]acetamide Formula: C20H27N3O4S3 MolecularWeight: 469.64108

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC(=O)NC(CC)C2=CSC=C2)S(=O)(=O)NC(=S)NC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC(=O)NC(CC)C2=CSC=C2)S(=O)(=O)NC(=S)NC

InChI

InChI=1S/C20H27N3O4S3/c1-4-9-27-17-7-6-14(11-18(17)30(25,26)23-20(28)21-3)12-19(24)22-16(5-2)15-8-10-29-13-15/h6-8,10-11,13,16H,4-5,9,12H2,1-3H3,(H,22,24)(H2,21,23,28)