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

Systemtic Name: 3-phenylpropyl 4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(3-ethoxypropanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-ethoxypropanoylamino)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-2-26-14-12-17(24)21-22-19(28)20-16(23)10-11-18(25)27-13-6-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,21,24)(H2,20,22,23,28)