N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C26H28BrN3O4S MolecularWeight: 558.48722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C26H28BrN3O4S/c1-2-3-4-7-16-33-20-13-10-19(11-14-20)25(32)28-26(35)30-29-23(31)17-34-22-15-12-18-8-5-6-9-21(18)24(22)27/h5-6,8-15H,2-4,7,16-17H2,1H3,(H,29,31)(H2,28,30,32,35)