methyl 6-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[(veratroylamino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NCCCCCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NCCCCCC(=O)OC)OC

InChI

InChI=1S/C17H25N3O5S/c1-23-13-9-8-12(11-14(13)24-2)16(22)19-20-17(26)18-10-6-4-5-7-15(21)25-3/h8-9,11H,4-7,10H2,1-3H3,(H,19,22)(H2,18,20,26)