ethyl 3-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[4-(2-phenoxyethoxy)benzoyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O5S/c1-2-33-26(31)17-18-30(21-22-9-5-3-6-10-22)28(36)29-27(32)23-13-15-25(16-14-23)35-20-19-34-24-11-7-4-8-12-24/h3-16H,2,17-21H2,1H3,(H,29,32,36)