3-bromanyl-4-butoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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