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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C26H28BrN3O4S MolecularWeight: 558.48722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2)Br

InChI

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