methyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]butanoate Openeye Name: methyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]butanoate CAS Name: 4-[[[2-(4-sulfamoylphenyl)ethylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]butanoate Traditional Name: 4-[2-(4-sulfamoylphenyl)ethylthiocarbamoylamino]butyric acid methyl ester Formula: C14H21N3O4S2 MolecularWeight: 359.46424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

COC(=O)CCCNC(=S)NCCC1=CC=C(C=C1)S(=O)(=O)N

InChI

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