3-[5-(4-chlorophenyl)furan-2-yl]-N-[(4-iodanyl-2,5-dimethyl-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(4-iodanyl-2,5-dimethyl-phenyl)carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(4-iodo-2,5-dimethyl-phenyl)carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[(4-iodo-2,5-dimethylanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(4-iodo-2,5-dimethyl-phenyl)thiocarbamoyl]acrylamide Formula: C22H18ClIN2O2S MolecularWeight: 536.81299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1I)C)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1I)C)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClIN2O2S/c1-13-12-19(14(2)11-18(13)24)25-22(29)26-21(27)10-8-17-7-9-20(28-17)15-3-5-16(23)6-4-15/h3-12H,1-2H3,(H2,25,26,27,29)