3,5-dinitro-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C21H16N4O6S MolecularWeight: 452.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S/c26-20(15-9-17(24(27)28)12-18(10-15)25(29)30)23-21(32)22-16-7-4-8-19(11-16)31-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,22,23,26,32)