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

Systemtic Name: methyl 4-[[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[3-(dimethylsulfamoyl)-4-ethoxyanilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H25N3O5S2 MolecularWeight: 403.5168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=S)NCCCC(=O)OC)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=S)NCCCC(=O)OC)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H25N3O5S2/c1-5-24-13-9-8-12(11-14(13)26(21,22)19(2)3)18-16(25)17-10-6-7-15(20)23-4/h8-9,11H,5-7,10H2,1-4H3,(H2,17,18,25)