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

Systemtic Name: 3-phenylpropyl 4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H27N3O6S2 MolecularWeight: 529.62838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O6S2/c29-23(14-15-24(30)34-17-4-8-19-6-2-1-3-7-19)28-25(35)27-20-10-12-22(13-11-20)36(31,32)26-18-21-9-5-16-33-21/h1-3,5-7,9-13,16,26H,4,8,14-15,17-18H2,(H2,27,28,29,35)