(E)-3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethyl-6-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C20H21N3O5S/c1-12-9-13(2)19(15(10-12)23(25)26)22-20(29)21-18(24)8-6-14-5-7-16(27-3)17(11-14)28-4/h5-11H,1-4H3,(H2,21,22,24,29)/b8-6+