S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] N-(3-chloranylpropyl)carbamothioate

Systemtic Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] N-(3-chloranylpropyl)carbamothioate Openeye Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] N-(3-chloropropyl)carbamothioate CAS Name: N-(3-chloropropyl)carbamothioic acid S-[2-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]phenyl] ester IUPAC Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] N-(3-chloropropyl)carbamothioate Traditional Name: N-(3-chloropropyl)thiocarbamic acid S-[2-[(4-sulfamoylbenzyl)carbamoyl]phenyl] ester Formula: C18H20ClN3O4S2 MolecularWeight: 441.9521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)SC(=O)NCCCCl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)SC(=O)NCCCCl

InChI

InChI=1S/C18H20ClN3O4S2/c19-10-3-11-21-18(24)27-16-5-2-1-4-15(16)17(23)22-12-13-6-8-14(9-7-13)28(20,25)26/h1-2,4-9H,3,10-12H2,(H,21,24)(H,22,23)(H2,20,25,26)