3-bromanyl-4-hexoxy-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C26H28BrN3O3S MolecularWeight: 542.48782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32)Br

InChI

InChI=1S/C26H28BrN3O3S/c1-2-3-4-7-15-33-23-14-13-20(16-22(23)27)25(32)28-26(34)30-29-24(31)17-19-11-8-10-18-9-5-6-12-21(18)19/h5-6,8-14,16H,2-4,7,15,17H2,1H3,(H,29,31)(H2,28,30,32,34)