ethyl (E)-4-oxidanylidene-4-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[4-(propylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[4-(propylsulfamoyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C16H21N3O5S2/c1-3-11-17-26(22,23)13-7-5-12(6-8-13)18-16(25)19-14(20)9-10-15(21)24-4-2/h5-10,17H,3-4,11H2,1-2H3,(H2,18,19,20,25)/b10-9+