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

Systemtic Name: methyl 4-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[3-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-(dimethylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C14H21N3O4S2 MolecularWeight: 359.46424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S2/c1-17(2)23(19,20)12-7-4-6-11(10-12)16-14(22)15-9-5-8-13(18)21-3/h4,6-7,10H,5,8-9H2,1-3H3,(H2,15,16,22)