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

Systemtic Name: (E)-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Openeye Name: (E)-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]-3-(5-phenyl-2-furyl)prop-2-enamide CAS Name: (E)-N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]-3-(5-phenyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]-3-(5-phenyl-2-furyl)acrylamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O5S/c1-28-19-13-15(24(26)27)7-10-17(19)22-21(30)23-20(25)12-9-16-8-11-18(29-16)14-5-3-2-4-6-14/h2-13H,1H3,(H2,22,23,25,30)/b12-9+