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

Systemtic Name: (E)-N-[(2,2-diphenylethanoylamino)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H25N3O3S/c1-2-32-22-16-13-19(14-17-22)15-18-23(30)27-26(33)29-28-25(31)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-18,24H,2H2,1H3,(H,28,31)(H2,27,29,30,33)/b18-15+