methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(p-phenetylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C20H23N3O6S2/c1-3-29-16-8-4-15(5-9-16)23-31(26,27)17-10-6-14(7-11-17)21-20(30)22-18(24)12-13-19(25)28-2/h4-11,23H,3,12-13H2,1-2H3,(H2,21,22,24,30)