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

Systemtic Name: 3-phenylpropyl 5-[[(4-acetamidophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(4-acetamidobenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(4-acetamidobenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(4-acetamidobenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H28N4O5S/c1-17(29)25-20-14-12-19(13-15-20)23(32)27-28-24(34)26-21(30)10-5-11-22(31)33-16-6-9-18-7-3-2-4-8-18/h2-4,7-8,12-15H,5-6,9-11,16H2,1H3,(H,25,29)(H,27,32)(H2,26,28,30,34)