3-bromanyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C17H15BrFN3O4S MolecularWeight: 456.286103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrFN3O4S/c1-2-7-26-15-6-3-10(8-12(15)18)16(23)21-17(27)20-14-9-11(22(24)25)4-5-13(14)19/h3-6,8-9H,2,7H2,1H3,(H2,20,21,23,27)