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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-2-3-4-5-11-28-18-10-9-14(12-17(18)21)19(25)23-20(29)22-15-7-6-8-16(13-15)24(26)27/h6-10,12-13H,2-5,11H2,1H3,(H2,22,23,25,29)