phenethyl 4-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O5S2/c1-23(2,3)26-33(29,30)19-11-9-18(10-12-19)24-22(32)25-20(27)13-14-21(28)31-16-15-17-7-5-4-6-8-17/h4-12,26H,13-16H2,1-3H3,(H2,24,25,27,32)