3-[5-(4-chlorophenyl)furan-2-yl]-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[(4-methyl-2-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(4-methyl-2-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(4-methyl-2-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4S/c1-13-2-9-17(18(12-13)25(27)28)23-21(30)24-20(26)11-8-16-7-10-19(29-16)14-3-5-15(22)6-4-14/h2-12H,1H3,(H2,23,24,26,30)