3-iodanyl-4-methoxy-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methoxy-N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H18IN3O3S MolecularWeight: 519.35539

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32)I

InChI

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