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

Systemtic Name: 3-bromanyl-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C17H16BrN3O5S MolecularWeight: 454.29504

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C17H16BrN3O5S/c1-2-7-26-15-6-3-10(8-12(15)18)16(23)20-17(27)19-13-5-4-11(21(24)25)9-14(13)22/h3-6,8-9,22H,2,7H2,1H3,(H2,19,20,23,27)