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

Systemtic Name: (E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: (E)-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C=CC2=CC=C(C=C2)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-4-5-14-28-20-12-10-19(15-21(20)27-3)16-24-23(29)25-22(26)13-11-18-8-6-17(2)7-9-18/h6-13,15H,4-5,14,16H2,1-3H3,(H2,24,25,26,29)/b13-11+