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

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C21H16ClN3O5S MolecularWeight: 457.88684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=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/C21H16ClN3O5S/c1-29-16-6-9-17(18(12-16)25(27)28)23-21(31)24-20(26)11-8-15-7-10-19(30-15)13-2-4-14(22)5-3-13/h2-12H,1H3,(H2,23,24,26,31)