3-ethoxy-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-ethoxy-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H15N3O5S MolecularWeight: 361.3724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H15N3O5S/c1-2-24-12-5-3-4-10(8-12)15(21)18-16(25)17-13-7-6-11(19(22)23)9-14(13)20/h3-9,20H,2H2,1H3,(H2,17,18,21,25)