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

Systemtic Name: (E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-(2-chlorophenyl)prop-2-enamide Openeye Name: (E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-(2-chlorophenyl)prop-2-enamide CAS Name: (E)-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-(2-chlorophenyl)-2-propenamide IUPAC Name: (E)-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-(2-chlorophenyl)prop-2-enamide Traditional Name: (E)-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3-(2-chlorophenyl)acrylamide Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C=CC2=CC=CC=C2Cl)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl)OC

InChI

InChI=1S/C22H25ClN2O3S/c1-3-4-13-28-19-11-9-16(14-20(19)27-2)15-24-22(29)25-21(26)12-10-17-7-5-6-8-18(17)23/h5-12,14H,3-4,13,15H2,1-2H3,(H2,24,25,26,29)/b12-10+