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

Systemtic Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] pyridine-4-carbothioate Openeye Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] pyridine-4-carbothioate CAS Name: 4-pyridinecarbothioic acid S-[2-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]phenyl] ester IUPAC Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] pyridine-4-carbothioate Traditional Name: pyridine-4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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