methyl 6-(benzamidocarbamothioylamino)hexanoate

Systemtic Name: methyl 6-(benzamidocarbamothioylamino)hexanoate Openeye Name: methyl 6-(benzamidocarbamothioylamino)hexanoate CAS Name: 6-[[(benzoylhydrazo)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(benzamidocarbamothioylamino)hexanoate Traditional Name: 6-(benzamidothiocarbamoylamino)hexanoic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H21N3O3S/c1-21-13(19)10-6-3-7-11-16-15(22)18-17-14(20)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,17,20)(H2,16,18,22)