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

Systemtic Name: 5-bromanyl-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O4S/c1-3-9-26-16-8-7-12(19)10-13(16)17(23)21-18(27)20-14-5-4-6-15(11(14)2)22(24)25/h4-8,10H,3,9H2,1-2H3,(H2,20,21,23,27)