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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H20BrN3O5S MolecularWeight: 482.3482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)Br

InChI

InChI=1S/C19H20BrN3O5S/c1-3-4-9-28-16-7-5-12(10-14(16)20)18(24)22-19(29)21-15-11-13(23(25)26)6-8-17(15)27-2/h5-8,10-11H,3-4,9H2,1-2H3,(H2,21,22,24,29)