methyl 6-(quinolin-8-ylcarbamothioylamino)hexanoate

Systemtic Name: methyl 6-(quinolin-8-ylcarbamothioylamino)hexanoate Openeye Name: methyl 6-(8-quinolylcarbamothioylamino)hexanoate CAS Name: 6-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(quinolin-8-ylcarbamothioylamino)hexanoate Traditional Name: 6-(8-quinolylthiocarbamoylamino)hexanoic acid methyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C17H21N3O2S/c1-22-15(21)10-3-2-4-11-19-17(23)20-14-9-5-7-13-8-6-12-18-16(13)14/h5-9,12H,2-4,10-11H2,1H3,(H2,19,20,23)