(2,6-dimethoxypyrimidin-4-yl)-[4-(phenylcarbamothioylamino)phenyl]sulfonyl-azanide

Systemtic Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(phenylcarbamothioylamino)phenyl]sulfonyl-azanide Openeye Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(phenylcarbamothioylamino)phenyl]sulfonyl-azanide CAS Name: [4-[[anilino(sulfanylidene)methyl]amino]phenyl]sulfonyl-(2,6-dimethoxy-4-pyrimidinyl)azanide IUPAC Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(phenylcarbamothioylamino)phenyl]sulfonylazanide Traditional Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(phenylthiocarbamoylamino)phenyl]sulfonyl-azanide Formula: C19H18N5O4S2- MolecularWeight: 444.50732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)OC

InChI

InChI=1S/C19H19N5O4S2/c1-27-17-12-16(22-18(23-17)28-2)24-30(25,26)15-10-8-14(9-11-15)21-19(29)20-13-6-4-3-5-7-13/h3-12H,1-2H3,(H3,20,21,22,23,24,29)/p-1