2-bromanyl-N-[[2-[4-(4-cyanophenyl)phenoxy]ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[2-[4-(4-cyanophenyl)phenoxy]ethanoylamino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-[4-(4-cyanophenyl)phenoxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]thiocarbamoyl]benzamide Formula: C23H17BrN4O3S MolecularWeight: 509.37508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C23H17BrN4O3S/c24-20-4-2-1-3-19(20)22(30)26-23(32)28-27-21(29)14-31-18-11-9-17(10-12-18)16-7-5-15(13-25)6-8-16/h1-12H,14H2,(H,27,29)(H2,26,28,30,32)