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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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