3-phenylpropyl 5-oxidanylidene-5-[[3-(propanoylamino)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-(propanoylamino)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-(propanoylamino)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-(propanoylamino)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[(3-propionamidophenyl)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O4S/c1-2-21(28)25-19-12-6-13-20(17-19)26-24(32)27-22(29)14-7-15-23(30)31-16-8-11-18-9-4-3-5-10-18/h3-6,9-10,12-13,17H,2,7-8,11,14-16H2,1H3,(H,25,28)(H2,26,27,29,32)