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

Systemtic Name: 3-phenylpropyl 5-[[(2-methoxyphenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(2-methoxybenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(2-methoxybenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[(o-anisoylamino)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O5S/c1-30-19-13-6-5-12-18(19)22(29)25-26-23(32)24-20(27)14-7-15-21(28)31-16-8-11-17-9-3-2-4-10-17/h2-6,9-10,12-13H,7-8,11,14-16H2,1H3,(H,25,29)(H2,24,26,27,32)