3-phenylpropyl 5-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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