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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-methylphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-methylbenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-methylbenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(o-toluoylamino)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C20H21N3O3S/c1-3-26-16-11-8-15(9-12-16)10-13-18(24)21-20(27)23-22-19(25)17-7-5-4-6-14(17)2/h4-13H,3H2,1-2H3,(H,22,25)(H2,21,23,24,27)/b13-10+