5-bromanyl-2-hexoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-hexoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-3-4-5-6-11-29-19-10-8-15(22)12-17(19)20(26)24-21(30)23-18-13-16(25(27)28)9-7-14(18)2/h7-10,12-13H,3-6,11H2,1-2H3,(H2,23,24,26,30)