N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H17N3O5S/c25-19-10-9-16(24(27)28)12-18(19)22-21(30)23-20(26)15-7-4-8-17(11-15)29-13-14-5-2-1-3-6-14/h1-12,25H,13H2,(H2,22,23,26,30)