phenethyl 4-oxidanylidene-4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(phenylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C25H25N3O5S2 MolecularWeight: 511.6131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O5S2/c29-23(15-16-24(30)33-18-17-19-7-3-1-4-8-19)27-25(34)26-20-11-13-22(14-12-20)35(31,32)28-21-9-5-2-6-10-21/h1-14,28H,15-18H2,(H2,26,27,29,34)