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

Systemtic Name: N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-methyl-butyramide Formula: C14H18IN3O3S MolecularWeight: 435.28049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)OC)I

Isomeric SMILES

CC(C)CC(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)OC)I

InChI

InChI=1S/C14H18IN3O3S/c1-8(2)6-12(19)16-14(22)18-17-13(20)9-4-5-11(21-3)10(15)7-9/h4-5,7-8H,6H2,1-3H3,(H,17,20)(H2,16,18,19,22)