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

Systemtic Name: 5-bromanyl-N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C17H15BrClN3O4S MolecularWeight: 472.7407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClN3O4S/c1-2-7-26-15-6-3-10(18)8-12(15)16(23)21-17(27)20-14-5-4-11(22(24)25)9-13(14)19/h3-6,8-9H,2,7H2,1H3,(H2,20,21,23,27)