methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)acetyl]amino]hexanoate CAS Name: 2-[[2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)acetyl]amino]hexanoate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)acetyl]amino]hexanoic acid methyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H25N3O5S/c1-3-4-5-13(17(23)24-2)21-16(22)11-19-18(27)20-12-6-7-14-15(10-12)26-9-8-25-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,21,22)(H2,19,20,27)