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

Systemtic Name: methyl 4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H21N3O7S MolecularWeight: 399.41884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C16H21N3O7S/c1-23-10-7-9(8-11(24-2)14(10)26-4)15(22)18-19-16(27)17-12(20)5-6-13(21)25-3/h7-8H,5-6H2,1-4H3,(H,18,22)(H2,17,19,20,27)