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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(2-methyl-3-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)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

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

InChI

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