phenethyl 4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C24H25N3O6S2 MolecularWeight: 515.6018

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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)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C24H25N3O6S2/c28-22(12-13-23(29)33-16-14-18-5-2-1-3-6-18)27-24(34)26-19-8-10-21(11-9-19)35(30,31)25-17-20-7-4-15-32-20/h1-11,15,25H,12-14,16-17H2,(H2,26,27,28,34)