4-ethoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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