methyl 4-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[(2,6-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=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

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

InChI

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