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

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H18BrN3O4S/c1-11(2)10-26-16-7-6-12(8-15(16)19)17(23)21-18(27)20-13-4-3-5-14(9-13)22(24)25/h3-9,11H,10H2,1-2H3,(H2,20,21,23,27)