propyl 4-oxidanylidene-4-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(propylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(propylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C17H25N3O5S2 MolecularWeight: 415.5275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC

InChI

InChI=1S/C17H25N3O5S2/c1-3-11-18-27(23,24)14-7-5-13(6-8-14)19-17(26)20-15(21)9-10-16(22)25-12-4-2/h5-8,18H,3-4,9-12H2,1-2H3,(H2,19,20,21,26)