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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C25H31N3O6S2 MolecularWeight: 533.66014

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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)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O6S2/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/h1-3,6-7,10-13,21,26H,4-5,8-9,14-18H2,(H2,27,28,29,35)