methyl 6-(naphthalen-2-ylcarbamothioylamino)hexanoate

Systemtic Name: methyl 6-(naphthalen-2-ylcarbamothioylamino)hexanoate Openeye Name: methyl 6-(2-naphthylcarbamothioylamino)hexanoate CAS Name: 6-[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(naphthalen-2-ylcarbamothioylamino)hexanoate Traditional Name: 6-(2-naphthylthiocarbamoylamino)hexanoic acid methyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H22N2O2S/c1-22-17(21)9-3-2-6-12-19-18(23)20-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H2,19,20,23)