5-bromanyl-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C28H24BrN3O4S MolecularWeight: 578.47686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NNC(=O)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NNC(=O)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H24BrN3O4S/c29-22-11-13-25(35-15-14-19-6-2-1-3-7-19)24(17-22)27(34)30-28(37)32-31-26(33)18-36-23-12-10-20-8-4-5-9-21(20)16-23/h1-13,16-17H,14-15,18H2,(H,31,33)(H2,30,32,34,37)