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

Systemtic Name: 2-methoxyethyl 4-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S2/c1-15-5-4-6-16(2)21(15)25-33(28,29)18-9-7-17(8-10-18)23-22(32)24-19(26)11-12-20(27)31-14-13-30-3/h4-10,25H,11-14H2,1-3H3,(H2,23,24,26,32)