methyl 6-[(3-oxidanylidenepiperazin-1-yl)carbothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-oxidanylidenepiperazin-1-yl)carbothioylamino]hexanoate Openeye Name: methyl 6-[(3-oxopiperazine-1-carbothioyl)amino]hexanoate CAS Name: 6-[[(3-oxo-1-piperazinyl)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-oxopiperazine-1-carbothioyl)amino]hexanoate Traditional Name: 6-[(3-ketopiperazine-1-carbothioyl)amino]hexanoic acid methyl ester Formula: C12H21N3O3S MolecularWeight: 287.37844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCNC(=O)C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCNC(=O)C1

InChI

InChI=1S/C12H21N3O3S/c1-18-11(17)5-3-2-4-6-14-12(19)15-8-7-13-10(16)9-15/h2-9H2,1H3,(H,13,16)(H,14,19)