3-phenylpropyl 5-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(4-isobutoxybenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(4-isobutoxybenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C26H33N3O5S/c1-19(2)18-34-22-15-13-21(14-16-22)25(32)28-29-26(35)27-23(30)11-6-12-24(31)33-17-7-10-20-8-4-3-5-9-20/h3-5,8-9,13-16,19H,6-7,10-12,17-18H2,1-2H3,(H,28,32)(H2,27,29,30,35)