(E)-3-(4-ethoxyphenyl)-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[(4-isopentyloxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(4-isoamoxyphenyl)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C23H28N2O3S/c1-4-27-20-10-5-18(6-11-20)7-14-22(26)25-23(29)24-19-8-12-21(13-9-19)28-16-15-17(2)3/h5-14,17H,4,15-16H2,1-3H3,(H2,24,25,26,29)/b14-7+