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

Systemtic Name: (E)-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(3-isobutoxyphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(3-isobutoxyphenyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-14(2)13-27-18-8-4-6-16(12-18)21-20(28)22-19(24)10-9-15-5-3-7-17(11-15)23(25)26/h3-12,14H,13H2,1-2H3,(H2,21,22,24,28)/b10-9+