phenethyl 4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-ethoxypropanoylamino)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CCOCCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C18H25N3O5S/c1-2-25-12-11-16(23)20-21-18(27)19-15(22)8-9-17(24)26-13-10-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,20,23)(H2,19,21,22,27)