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

Systemtic Name: 3-phenylpropyl 5-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[(veratroylamino)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O6S/c1-31-19-14-13-18(16-20(19)32-2)23(30)26-27-24(34)25-21(28)11-6-12-22(29)33-15-7-10-17-8-4-3-5-9-17/h3-5,8-9,13-14,16H,6-7,10-12,15H2,1-2H3,(H,26,30)(H2,25,27,28,34)