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

Systemtic Name: 3-bromanyl-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C20H21Br2N3O4S MolecularWeight: 559.27144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Br2N3O4S/c1-2-3-4-5-10-29-18-9-6-13(11-16(18)22)19(26)24-20(30)23-17-8-7-14(25(27)28)12-15(17)21/h6-9,11-12H,2-5,10H2,1H3,(H2,23,24,26,30)