3-bromanyl-4-butoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(2-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/c1-2-3-10-26-16-9-8-12(11-13(16)19)17(23)21-18(27)20-14-6-4-5-7-15(14)22(24)25/h4-9,11H,2-3,10H2,1H3,(H2,20,21,23,27)