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

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C20H14ClN3O5S MolecularWeight: 443.86026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=CC(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C=CC(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C20H14ClN3O5S/c21-13-3-1-12(2-4-13)18-9-6-15(29-18)7-10-19(26)23-20(30)22-16-11-14(24(27)28)5-8-17(16)25/h1-11,25H,(H2,22,23,26,30)