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

Systemtic Name: (E)-N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-ethoxy-N-(4-hydroxybutyl)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-hydroxybutyl(p-phenetyl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O3S/c1-2-27-20-13-11-19(12-14-20)24(16-6-7-17-25)22(28)23-21(26)15-10-18-8-4-3-5-9-18/h3-5,8-15,25H,2,6-7,16-17H2,1H3,(H,23,26,28)/b15-10+