methyl 4-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(3,5-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OC)C

InChI

InChI=1S/C20H23N3O5S2/c1-13-10-14(2)12-16(11-13)23-30(26,27)17-6-4-15(5-7-17)21-20(29)22-18(24)8-9-19(25)28-3/h4-7,10-12,23H,8-9H2,1-3H3,(H2,21,22,24,29)