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

Systemtic Name: phenethyl 4-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C27H29N3O5S2 MolecularWeight: 539.66626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C27H29N3O5S2/c1-19-8-9-23(18-20(19)2)30-37(33,34)24-12-10-22(11-13-24)28-27(36)29-25(31)14-15-26(32)35-17-16-21-6-4-3-5-7-21/h3-13,18,30H,14-17H2,1-2H3,(H2,28,29,31,36)