3-iodanyl-4-methoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: N-[(hydrocinnamoylamino)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C18H18IN3O3S MolecularWeight: 483.32329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2)I

InChI

InChI=1S/C18H18IN3O3S/c1-25-15-9-8-13(11-14(15)19)17(24)20-18(26)22-21-16(23)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,21,23)(H2,20,22,24,26)