phenethyl 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(2-hydroxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(2-hydroxyethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO

InChI

InChI=1S/C22H25N3O5S/c26-14-13-23-21(29)17-8-4-5-9-18(17)24-22(31)25-19(27)10-11-20(28)30-15-12-16-6-2-1-3-7-16/h1-9,26H,10-15H2,(H,23,29)(H2,24,25,27,31)