N-(phenylmethyl)-3-[[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(phenylmethyl)-3-[[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N-benzyl-3-[[(2-thioxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: 3-[oxo-[[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]hydrazo]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[(2-thioxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=CNC3=S

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=CNC3=S

InChI

InChI=1S/C20H18N4O4S2/c25-18(23-24-19(26)17-10-5-11-21-20(17)29)15-8-4-9-16(12-15)30(27,28)22-13-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,21,29)(H,23,25)(H,24,26)