(E)-3-(4-ethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[(4-isopropoxyphenyl)methylcarbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(4-isopropoxybenzyl)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NCC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NCC2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C22H26N2O3S/c1-4-26-19-10-5-17(6-11-19)9-14-21(25)24-22(28)23-15-18-7-12-20(13-8-18)27-16(2)3/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,28)/b14-9+