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

Systemtic Name: N-[(3-phenylmethoxyphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide CAS Name: N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-2,1,3-benzoxadiazole-5-carboxamide IUPAC Name: N-[(3-phenylmethoxyphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]benzofurazan-5-carboxamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC4=NON=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC4=NON=C4C=C3

InChI

InChI=1S/C21H16N4O3S/c26-20(15-9-10-18-19(11-15)25-28-24-18)23-21(29)22-16-7-4-8-17(12-16)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,22,23,26,29)