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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[[4-(propanoylamino)benzoyl]amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[[4-(propanoylamino)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(4-propionamidobenzoyl)amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O5S/c1-2-20(29)25-19-12-10-18(11-13-19)23(32)27-28-24(34)26-21(30)14-15-22(31)33-16-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3,(H,25,29)(H,27,32)(H2,26,28,30,34)