2-methoxyethyl 4-oxidanylidene-4-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O5S/c1-30-14-15-31-22(29)13-12-21(28)26-23(32)25-19-9-5-8-18(16-19)24-20(27)11-10-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3,(H,24,27)(H2,25,26,28,32)