3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]amino]propanamide CAS Name: 3-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]amino]propanamide Traditional Name: 3-[benzyl-[[(E)-3-p-phenetylacryloyl]thiocarbamoyl]amino]propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-2-28-19-11-8-17(9-12-19)10-13-21(27)24-22(29)25(15-14-20(23)26)16-18-6-4-3-5-7-18/h3-13H,2,14-16H2,1H3,(H2,23,26)(H,24,27,29)/b13-10+