ethyl 3-[[3-(2-ethoxyethoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[3-(2-ethoxyethoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[3-(2-ethoxyethoxy)benzoyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[[3-(2-ethoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[3-(2-ethoxyethoxy)benzoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[3-(2-ethoxyethoxy)benzoyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O5S/c1-3-29-15-16-31-21-12-8-11-20(17-21)23(28)25-24(32)26(14-13-22(27)30-4-2)18-19-9-6-5-7-10-19/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,25,28,32)