methyl 2-[2-[(2,5-dimethoxyphenyl)carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(2,5-dimethoxyphenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(2,5-dimethoxyphenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2,5-dimethoxyphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(2,5-dimethoxyphenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=C(C=CC(=C1)OC)OC

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C18H27N3O5S/c1-5-6-7-13(17(23)26-4)20-16(22)11-19-18(27)21-14-10-12(24-2)8-9-15(14)25-3/h8-10,13H,5-7,11H2,1-4H3,(H,20,22)(H2,19,21,27)