(E)-3-(3,4-dimethoxyphenyl)-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-4-29-14-7-8-15(16(12-14)23(25)26)21-20(30)22-19(24)10-6-13-5-9-17(27-2)18(11-13)28-3/h5-12H,4H2,1-3H3,(H2,21,22,24,30)/b10-6+