3-phenylpropyl 4-oxidanylidene-4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(phenylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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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)NC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5S2/c30-24(17-18-25(31)34-19-7-10-20-8-3-1-4-9-20)28-26(35)27-21-13-15-23(16-14-21)36(32,33)29-22-11-5-2-6-12-22/h1-6,8-9,11-16,29H,7,10,17-19H2,(H2,27,28,30,35)