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

Systemtic Name: ethyl 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[(E)-3-p-phenetylacryloyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-3-29-21-13-10-19(11-14-21)12-15-22(27)25-24(31)26(17-16-23(28)30-4-2)18-20-8-6-5-7-9-20/h5-15H,3-4,16-18H2,1-2H3,(H,25,27,31)/b15-12+