S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] pyridine-3-carbothioate

Systemtic Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] pyridine-3-carbothioate Openeye Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-[2-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]phenyl] ester IUPAC Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-[2-[(4-sulfamoylbenzyl)carbamoyl]phenyl] ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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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)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)SC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H17N3O4S2/c21-29(26,27)16-9-7-14(8-10-16)12-23-19(24)17-5-1-2-6-18(17)28-20(25)15-4-3-11-22-13-15/h1-11,13H,12H2,(H,23,24)(H2,21,26,27)