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

Systemtic Name: (E)-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Openeye Name: (E)-N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3-(5-phenyl-2-furyl)prop-2-enamide CAS Name: (E)-N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3-(5-phenyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3-(5-phenyl-2-furyl)acrylamide Formula: C20H14BrN3O4S MolecularWeight: 472.31186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)C=CC(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H14BrN3O4S/c21-16-12-14(24(26)27)6-9-17(16)22-20(29)23-19(25)11-8-15-7-10-18(28-15)13-4-2-1-3-5-13/h1-12H,(H2,22,23,25,29)/b11-8+