5-bromanyl-N-[(3-nitrophenyl)carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-nitrophenyl)carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[(3-nitrophenyl)carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[(3-nitroanilino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[(3-nitrophenyl)carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(3-nitrophenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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