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

Systemtic Name: 3-(piperidin-1-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(1-piperidylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(1-piperidinylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(piperidin-1-ylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(piperidinomethyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C14H23N5S MolecularWeight: 293.43092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C3CCCCN=C3N(N2)C(=S)N

Isomeric SMILES

C1CCN(CC1)CC2=C3CCCCN=C3N(N2)C(=S)N

InChI

InChI=1S/C14H23N5S/c15-14(20)19-13-11(6-2-3-7-16-13)12(17-19)10-18-8-4-1-5-9-18/h17H,1-10H2,(H2,15,20)