N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine

Systemtic Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine Openeye Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(3R)-1-cyclohexyl-3-piperidyl]-N-(3-pyridylmethyl)methanamine CAS Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(3R)-1-cyclohexyl-3-piperidinyl]-N-(3-pyridinylmethyl)methanamine IUPAC Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine Traditional Name: [(3R)-1-cyclohexyl-3-piperidyl]methyl-(piazthiol-5-ylmethyl)-(3-pyridylmethyl)amine Formula: C25H33N5S MolecularWeight: 435.62802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCC(C2)CN(CC3=CC4=NSN=C4C=C3)CC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CCC[C@@H](C2)CN(CC3=CC4=NSN=C4C=C3)CC5=CN=CC=C5

InChI

InChI=1S/C25H33N5S/c1-2-8-23(9-3-1)30-13-5-7-22(19-30)18-29(17-21-6-4-12-26-15-21)16-20-10-11-24-25(14-20)28-31-27-24/h4,6,10-12,14-15,22-23H,1-3,5,7-9,13,16-19H2/t22-/m1/s1