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

Systemtic Name: N,N-diethyl-3-[[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[[(2-thioxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[oxo-[[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[[(2-thioxo-1H-pyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CNC2=S

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=CNC2=S

InChI

InChI=1S/C17H20N4O4S2/c1-3-21(4-2)27(24,25)13-8-5-7-12(11-13)15(22)19-20-16(23)14-9-6-10-18-17(14)26/h5-11H,3-4H2,1-2H3,(H,18,26)(H,19,22)(H,20,23)