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

Systemtic Name: 3-phenylpropyl 5-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[4-(butanoylamino)benzoyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-(butanoylamino)benzoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(4-butyramidobenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H32N4O5S MolecularWeight: 512.62108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O5S/c1-2-8-22(31)27-21-16-14-20(15-17-21)25(34)29-30-26(36)28-23(32)12-6-13-24(33)35-18-7-11-19-9-4-3-5-10-19/h3-5,9-10,14-17H,2,6-8,11-13,18H2,1H3,(H,27,31)(H,29,34)(H2,28,30,32,36)