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

Systemtic Name: methyl 4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H23N3O6S/c1-22-11-8-10(9-12(23-2)14(11)25-4)15(21)18-19-16(26)17-7-5-6-13(20)24-3/h8-9H,5-7H2,1-4H3,(H,18,21)(H2,17,19,26)