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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O6S2/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/h1-3,5-6,8-11,20,25H,4,7,12-17H2,(H2,26,27,28,34)