methyl 4-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-chloro-3-(diethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-chloro-3-(diethylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H24ClN3O4S2 MolecularWeight: 421.96246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=S)NCCCC(=O)OC)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=S)NCCCC(=O)OC)Cl

InChI

InChI=1S/C16H24ClN3O4S2/c1-4-20(5-2)26(22,23)14-11-12(8-9-13(14)17)19-16(25)18-10-6-7-15(21)24-3/h8-9,11H,4-7,10H2,1-3H3,(H2,18,19,25)