N-[(4-pentylphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-2,1,3-benzoxadiazole-5-carboxamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]benzofurazan-5-carboxamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C19H20N4O2S/c1-2-3-4-5-13-6-9-15(10-7-13)20-19(26)21-18(24)14-8-11-16-17(12-14)23-25-22-16/h6-12H,2-5H2,1H3,(H2,20,21,24,26)