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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-propionamidophenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O4S/c1-2-19(26)23-17-9-6-10-18(15-17)24-22(30)25-20(27)11-12-21(28)29-14-13-16-7-4-3-5-8-16/h3-10,15H,2,11-14H2,1H3,(H,23,26)(H2,24,25,27,30)