2-methoxyethyl 4-oxidanylidene-4-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C23H27N3O5S/c1-16(17-7-4-3-5-8-17)24-22(29)18-9-6-10-19(15-18)25-23(32)26-20(27)11-12-21(28)31-14-13-30-2/h3-10,15-16H,11-14H2,1-2H3,(H,24,29)(H2,25,26,27,32)