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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(4-methoxy-2-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=C(C=C2)OC)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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