methyl 4-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[5-(diethylsulfamoyl)-2-methoxyanilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamothioylamino]butanoate Traditional Name: 4-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H27N3O5S2 MolecularWeight: 417.54338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O5S2/c1-5-20(6-2)27(22,23)13-9-10-15(24-3)14(12-13)19-17(26)18-11-7-8-16(21)25-4/h9-10,12H,5-8,11H2,1-4H3,(H2,18,19,26)