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

Systemtic Name: (E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-3-4-14-27-19-12-10-18(15-20(19)26-2)16-23-22(28)24-21(25)13-11-17-8-6-5-7-9-17/h5-13,15H,3-4,14,16H2,1-2H3,(H2,23,24,25,28)/b13-11+