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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O7S/c1-32-19-15-18(16-20(33-2)23(19)34-3)24(31)27-28-25(36)26-21(29)12-7-13-22(30)35-14-8-11-17-9-5-4-6-10-17/h4-6,9-10,15-16H,7-8,11-14H2,1-3H3,(H,27,31)(H2,26,28,29,36)