3-bromanyl-4-hexoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C20H22BrN3O5S/c1-2-3-4-5-10-29-18-9-6-13(11-15(18)21)19(26)23-20(30)22-16-12-14(24(27)28)7-8-17(16)25/h6-9,11-12,25H,2-5,10H2,1H3,(H2,22,23,26,30)