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

Systemtic Name: 3-phenylpropyl 5-[[(4-methylphenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(4-methylbenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(4-methylbenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[(p-toluoylamino)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-17-12-14-19(15-13-17)22(29)25-26-23(31)24-20(27)10-5-11-21(28)30-16-6-9-18-7-3-2-4-8-18/h2-4,7-8,12-15H,5-6,9-11,16H2,1H3,(H,25,29)(H2,24,26,27,31)