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

Systemtic Name: 3-phenylpropyl 5-[(methoxycarbonylamino)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(methoxycarbonylamino)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(methoxycarbonylhydrazo)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(methoxycarbonylamino)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(carbomethoxyamino)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O5S/c1-24-17(23)20-19-16(26)18-14(21)10-5-11-15(22)25-12-6-9-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,20,23)(H2,18,19,21,26)