phenethyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(sec-butylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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