3-phenylpropyl 5-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C23H26N4O7S MolecularWeight: 502.54014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O7S/c28-20(9-4-10-22(30)33-15-5-8-17-6-2-1-3-7-17)24-23(35)26-25-21(29)16-34-19-13-11-18(12-14-19)27(31)32/h1-3,6-7,11-14H,4-5,8-10,15-16H2,(H,25,29)(H2,24,26,28,35)