phenethyl 4-oxidanylidene-4-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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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)NCCCO

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c27-15-6-14-24-22(30)18-9-4-5-10-19(18)25-23(32)26-20(28)11-12-21(29)31-16-13-17-7-2-1-3-8-17/h1-5,7-10,27H,6,11-16H2,(H,24,30)(H2,25,26,28,32)