ethyl 3-[(phenylmethyl)-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]amino]propanoate

Systemtic Name: ethyl 3-[(phenylmethyl)-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]amino]propanoate Openeye Name: ethyl 3-[benzyl-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[(E)-3-phenylacryloyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H24N2O3S/c1-2-27-21(26)15-16-24(17-19-11-7-4-8-12-19)22(28)23-20(25)14-13-18-9-5-3-6-10-18/h3-14H,2,15-17H2,1H3,(H,23,25,28)/b14-13+