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

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O4S/c1-2-9-25-13-6-3-11(4-7-13)16(22)20-17(26)19-15-8-5-12(21(23)24)10-14(15)18/h3-8,10H,2,9H2,1H3,(H2,19,20,22,26)