3-phenylpropyl 5-oxidanylidene-5-[(3-phenylpropanoylamino)carbamothioylamino]pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O4S/c28-21(14-7-15-23(30)31-18-8-13-19-9-3-1-4-10-19)25-24(32)27-26-22(29)17-16-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,26,29)(H2,25,27,28,32)