methyl 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamothioylamino]butanoate CAS Name: 4-[[[[4-(diethylsulfamoyl)phenyl]methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(diethylsulfamoyl)phenyl]methylcarbamothioylamino]butanoate Traditional Name: 4-[[4-(diethylsulfamoyl)benzyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H27N3O4S2 MolecularWeight: 401.54398

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=S)NCCCC(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C17H27N3O4S2/c1-4-20(5-2)26(22,23)15-10-8-14(9-11-15)13-19-17(25)18-12-6-7-16(21)24-3/h8-11H,4-7,12-13H2,1-3H3,(H2,18,19,25)