3-phenylpropyl 5-[[2-(3-methylphenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(3-methylphenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[[2-(3-methylphenoxy)acetyl]amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O5S/c1-18-8-5-12-20(16-18)32-17-22(29)26-27-24(33)25-21(28)13-6-14-23(30)31-15-7-11-19-9-3-2-4-10-19/h2-5,8-10,12,16H,6-7,11,13-15,17H2,1H3,(H,26,29)(H2,25,27,28,33)