3-bromanyl-4-butoxy-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H21BrN4O6S MolecularWeight: 525.37294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C20H21BrN4O6S/c1-2-3-10-30-17-9-4-13(11-16(17)21)19(27)22-20(32)24-23-18(26)12-31-15-7-5-14(6-8-15)25(28)29/h4-9,11H,2-3,10,12H2,1H3,(H,23,26)(H2,22,24,27,32)