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

Systemtic Name: methyl 4-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-chloro-3-(dimethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-chloro-3-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-chloro-3-(dimethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-chloro-3-(dimethylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C14H20ClN3O4S2 MolecularWeight: 393.9093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O4S2/c1-18(2)24(20,21)12-9-10(6-7-11(12)15)17-14(23)16-8-4-5-13(19)22-3/h6-7,9H,4-5,8H2,1-3H3,(H2,16,17,23)