(E)-3-(3,4-dimethoxyphenyl)-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]acrylamide Formula: C20H20IN3O5S MolecularWeight: 541.35937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20IN3O5S/c1-27-15-8-6-13(11-14(15)21)19(26)23-24-20(30)22-18(25)9-5-12-4-7-16(28-2)17(10-12)29-3/h4-11H,1-3H3,(H,23,26)(H2,22,24,25,30)/b9-5+