methyl 6-[[4-(phenylcarbonyl)piperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(phenylcarbonyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[(4-benzoylpiperazine-1-carbothioyl)amino]hexanoate CAS Name: 6-[[(4-benzoyl-1-piperazinyl)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-benzoylpiperazine-1-carbothioyl)amino]hexanoate Traditional Name: 6-[(4-benzoylpiperazine-1-carbothioyl)amino]hexanoic acid methyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H27N3O3S/c1-25-17(23)10-6-3-7-11-20-19(26)22-14-12-21(13-15-22)18(24)16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H,20,26)