2-methoxyethyl 4-oxidanylidene-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O6S2/c1-30-15-16-31-21(27)12-11-20(26)25-22(32)24-18-7-9-19(10-8-18)33(28,29)23-14-13-17-5-3-2-4-6-17/h2-10,23H,11-16H2,1H3,(H2,24,25,26,32)