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

Systemtic Name: (E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3-(2-thienyl)acrylamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C=CC2=CC=CS2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)/C=C/C2=CC=CS2)OC

InChI

InChI=1S/C20H24N2O3S2/c1-3-4-11-25-17-9-7-15(13-18(17)24-2)14-21-20(26)22-19(23)10-8-16-6-5-12-27-16/h5-10,12-13H,3-4,11,14H2,1-2H3,(H2,21,22,23,26)/b10-8+