N-[(5-iodanylpyridin-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: N-[(5-iodanylpyridin-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: N-[(5-iodo-2-pyridyl)carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[(5-iodopyridin-2-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[(5-iodo-2-pyridyl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C18H18IN3OS MolecularWeight: 451.32449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=NC=C(C=C2)I

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=NC=C(C=C2)I

InChI

InChI=1S/C18H18IN3OS/c1-12(2)14-6-3-13(4-7-14)5-10-17(23)22-18(24)21-16-9-8-15(19)11-20-16/h3-12H,1-2H3,(H2,20,21,22,23,24)