ethyl 3-[(3-phenethyloxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(3-phenethyloxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3-phenethyloxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(3-phenethyloxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(3-phenethyloxybenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O4S/c1-2-33-26(31)16-18-30(21-23-12-7-4-8-13-23)28(35)29-27(32)24-14-9-15-25(20-24)34-19-17-22-10-5-3-6-11-22/h3-15,20H,2,16-19,21H2,1H3,(H,29,32,35)