N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide

Systemtic Name: N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide Openeye Name: N-[(6-pentoxy-3-pyridyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide CAS Name: N-[[(6-pentoxy-3-pyridinyl)amino]-sulfanylidenemethyl]-2,1,3-benzoxadiazole-5-carboxamide IUPAC Name: N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide Traditional Name: N-[(6-amoxy-3-pyridyl)thiocarbamoyl]benzofurazan-5-carboxamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2

Isomeric SMILES

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C18H19N5O3S/c1-2-3-4-9-25-16-8-6-13(11-19-16)20-18(27)21-17(24)12-5-7-14-15(10-12)23-26-22-14/h5-8,10-11H,2-4,9H2,1H3,(H2,20,21,24,27)