3-phenylpropyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-(methylcarbamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(methylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O4S/c1-23-21(28)17-11-5-6-12-18(17)24-22(30)25-19(26)13-14-20(27)29-15-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,23,28)(H2,24,25,26,30)