1-(azepan-1-yl)-2-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazino]ethanone Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CNC3=S

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C18H26N4O2S/c23-16(21-8-3-1-2-4-9-21)14-20-10-12-22(13-11-20)18(24)15-6-5-7-19-17(15)25/h5-7H,1-4,8-14H2,(H,19,25)