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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[(3-heptoxyphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[(3-heptoxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[(3-heptoxyanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[(3-heptoxyphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(3-heptoxyphenyl)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OCC

InChI

InChI=1S/C25H32N2O3S/c1-3-5-6-7-8-18-30-23-11-9-10-21(19-23)26-25(31)27-24(28)17-14-20-12-15-22(16-13-20)29-4-2/h9-17,19H,3-8,18H2,1-2H3,(H2,26,27,28,31)/b17-14+