N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C18H18IN3O3S MolecularWeight: 483.32329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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