3-phenylpropyl 5-[[(4-hexoxyphenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[(4-hexoxyphenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(4-hexoxybenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(4-hexoxybenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(4-hexoxybenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H37N3O5S MolecularWeight: 527.67548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C28H37N3O5S/c1-2-3-4-8-20-35-24-18-16-23(17-19-24)27(34)30-31-28(37)29-25(32)14-9-15-26(33)36-21-10-13-22-11-6-5-7-12-22/h5-7,11-12,16-19H,2-4,8-10,13-15,20-21H2,1H3,(H,30,34)(H2,29,31,32,37)