(E)-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[3-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[3-(2-ethoxyethoxy)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-2-27-11-12-28-18-8-4-6-16(14-18)21-20(29)22-19(24)10-9-15-5-3-7-17(13-15)23(25)26/h3-10,13-14H,2,11-12H2,1H3,(H2,21,22,24,29)/b10-9+