3-phenylpropyl 5-oxidanylidene-5-[[4-(propanoylamino)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(propanoylamino)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(propanoylamino)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(propanoylamino)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[(4-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=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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