(E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N3O5S/c1-3-4-12-30-19-10-8-17(14-20(19)29-2)15-23-22(31)24-21(26)11-9-16-6-5-7-18(13-16)25(27)28/h5-11,13-14H,3-4,12,15H2,1-2H3,(H2,23,24,26,31)/b11-9+