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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OCC

InChI

InChI=1S/C25H31N3O4S/c1-3-5-6-7-18-32-22-15-11-20(12-16-22)24(30)27-28-25(33)26-23(29)17-10-19-8-13-21(14-9-19)31-4-2/h8-17H,3-7,18H2,1-2H3,(H,27,30)(H2,26,28,29,33)/b17-10+