[8-oxidanylidene-8-(4-pyridin-2-ylpiperazin-1-yl)octyl]carbamothioic S-acid

Systemtic Name: [8-oxidanylidene-8-(4-pyridin-2-ylpiperazin-1-yl)octyl]carbamothioic S-acid Openeye Name: [8-oxo-8-[4-(2-pyridyl)piperazin-1-yl]octyl]carbamothioic S-acid CAS Name: [8-oxo-8-[4-(2-pyridinyl)-1-piperazinyl]octyl]carbamothioic S-acid IUPAC Name: [8-oxo-8-(4-pyridin-2-ylpiperazin-1-yl)octyl]carbamothioic S-acid Traditional Name: [8-keto-8-[4-(2-pyridyl)piperazino]octyl]thiocarbamic S-acid Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCCCNC(=O)S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCCCNC(=O)S

InChI

InChI=1S/C18H28N4O2S/c23-17(9-4-2-1-3-6-11-20-18(24)25)22-14-12-21(13-15-22)16-8-5-7-10-19-16/h5,7-8,10H,1-4,6,9,11-15H2,(H2,20,24,25)