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

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(3-cyano-4,5-dimethyl-2-thienyl)carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(3-cyano-4,5-dimethyl-2-thienyl)thiocarbamoyl]acrylamide Formula: C21H16ClN3O2S2 MolecularWeight: 441.95364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H16ClN3O2S2/c1-12-13(2)29-20(17(12)11-23)25-21(28)24-19(26)10-8-16-7-9-18(27-16)14-3-5-15(22)6-4-14/h3-10H,1-2H3,(H2,24,25,26,28)