2-iodanyl-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide

Systemtic Name: 2-iodanyl-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Openeye Name: 2-iodo-N-[[2-(2-naphthyloxy)propanoylamino]carbamothioyl]benzamide CAS Name: 2-iodo-N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Traditional Name: 2-iodo-N-[[2-(2-naphthoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C21H18IN3O3S MolecularWeight: 519.35539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)C1=CC=CC=C1I)OC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)C1=CC=CC=C1I)OC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18IN3O3S/c1-13(28-16-11-10-14-6-2-3-7-15(14)12-16)19(26)24-25-21(29)23-20(27)17-8-4-5-9-18(17)22/h2-13H,1H3,(H,24,26)(H2,23,25,27,29)