3-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide

Systemtic Name: 3-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-[2-(1-piperidyl)ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-[2-(1-piperidinyl)ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(2-piperidinoethyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C15H25N5S MolecularWeight: 307.4575

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2=C3CCCCN=C3N(N2)C(=S)N

Isomeric SMILES

C1CCN(CC1)CCC2=C3CCCCN=C3N(N2)C(=S)N

InChI

InChI=1S/C15H25N5S/c16-15(21)20-14-12(6-2-3-8-17-14)13(18-20)7-11-19-9-4-1-5-10-19/h18H,1-11H2,(H2,16,21)