S-[2-(2-sulfamoylethylcarbamoyl)phenyl] N-butylcarbamothioate

Systemtic Name: S-[2-(2-sulfamoylethylcarbamoyl)phenyl] N-butylcarbamothioate Openeye Name: S-[2-(2-sulfamoylethylcarbamoyl)phenyl] N-butylcarbamothioate CAS Name: N-butylcarbamothioic acid S-[2-[oxo-(2-sulfamoylethylamino)methyl]phenyl] ester IUPAC Name: S-[2-(2-sulfamoylethylcarbamoyl)phenyl] N-butylcarbamothioate Traditional Name: N-butylthiocarbamic acid S-[2-(2-sulfamoylethylcarbamoyl)phenyl] ester Formula: C14H21N3O4S2 MolecularWeight: 359.46424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)SC1=CC=CC=C1C(=O)NCCS(=O)(=O)N

Isomeric SMILES

CCCCNC(=O)SC1=CC=CC=C1C(=O)NCCS(=O)(=O)N

InChI

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