methyl 6-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamothioylamino)hexanoate

Systemtic Name: methyl 6-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamothioylamino)hexanoate Openeye Name: methyl 6-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamothioylamino)hexanoate CAS Name: 6-[[(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]ylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamothioylamino)hexanoate Traditional Name: 6-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylthiocarbamoylamino)hexanoic acid methyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)OC3(O2)CCCC3

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)OC3(O2)CCCC3

InChI

InChI=1S/C19H26N2O4S/c1-23-17(22)7-3-2-6-12-20-18(26)21-14-8-9-15-16(13-14)25-19(24-15)10-4-5-11-19/h8-9,13H,2-7,10-12H2,1H3,(H2,20,21,26)