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

Systemtic Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]-N-(1-phenylethyl)acetamide CAS Name: 2-[3-[[methylamino(sulfanylidene)methyl]sulfamoyl]-4-propoxyphenyl]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxyphenyl]-N-(1-phenylethyl)acetamide Traditional Name: 2-[3-(methylthiocarbamoylsulfamoyl)-4-propoxy-phenyl]-N-(1-phenylethyl)acetamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S2/c1-4-12-28-18-11-10-16(13-19(18)30(26,27)24-21(29)22-3)14-20(25)23-15(2)17-8-6-5-7-9-17/h5-11,13,15H,4,12,14H2,1-3H3,(H,23,25)(H2,22,24,29)