propyl 4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylamino]butyric acid propyl ester Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C18H25N3O7S/c1-5-8-28-15(23)7-6-14(22)19-18(29)21-20-17(24)11-9-12(25-2)16(27-4)13(10-11)26-3/h9-10H,5-8H2,1-4H3,(H,20,24)(H2,19,21,22,29)