3-bromanyl-4-ethoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C17H16BrN3O5S MolecularWeight: 454.29504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O5S/c1-3-26-14-6-4-10(8-12(14)18)16(22)20-17(27)19-13-9-11(21(23)24)5-7-15(13)25-2/h4-9H,3H2,1-2H3,(H2,19,20,22,27)