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

Systemtic Name: 3-phenylpropyl 5-[(3-ethoxypropanoylamino)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(3-ethoxypropanoylamino)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(3-ethoxypropanoylamino)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(3-ethoxypropanoylamino)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-2-27-15-13-18(25)22-23-20(29)21-17(24)11-6-12-19(26)28-14-7-10-16-8-4-3-5-9-16/h3-5,8-9H,2,6-7,10-15H2,1H3,(H,22,25)(H2,21,23,24,29)