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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O5S/c1-29-12-13-30-21(28)11-10-19(26)25-22(31)24-18-9-5-8-17(15-18)23-20(27)14-16-6-3-2-4-7-16/h2-9,15H,10-14H2,1H3,(H,23,27)(H2,24,25,26,31)