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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C24H24BrN3O3S MolecularWeight: 514.43466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32)Br

InChI

InChI=1S/C24H24BrN3O3S/c1-2-3-13-31-21-12-11-18(14-20(21)25)23(30)26-24(32)28-27-22(29)15-17-9-6-8-16-7-4-5-10-19(16)17/h4-12,14H,2-3,13,15H2,1H3,(H,27,29)(H2,26,28,30,32)