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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[[4-(propanoylamino)benzoyl]amino]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[[4-(propanoylamino)benzoyl]amino]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[(4-propionamidobenzoyl)amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5S/c1-2-21(30)26-20-15-13-19(14-16-20)24(33)28-29-25(35)27-22(31)11-6-12-23(32)34-17-7-10-18-8-4-3-5-9-18/h3-5,8-9,13-16H,2,6-7,10-12,17H2,1H3,(H,26,30)(H,28,33)(H2,27,29,31,35)