N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thian-4-amine

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thian-4-amine Openeye Name: N-[[1-(o-tolylmethyl)-4-piperidyl]methyl]-N-(3-pyridylmethyl)tetrahydrothiopyran-4-amine CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidinyl]methyl]-N-(3-pyridinylmethyl)-4-thianamine IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thian-4-amine Traditional Name: [1-(2-methylbenzyl)-4-piperidyl]methyl-(3-pyridylmethyl)-tetrahydrothiopyran-4-yl-amine Formula: C25H35N3S MolecularWeight: 409.6305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CC2)CN(CC3=CN=CC=C3)C4CCSCC4

Isomeric SMILES

CC1=CC=CC=C1CN2CCC(CC2)CN(CC3=CN=CC=C3)C4CCSCC4

InChI

InChI=1S/C25H35N3S/c1-21-5-2-3-7-24(21)20-27-13-8-22(9-14-27)18-28(25-10-15-29-16-11-25)19-23-6-4-12-26-17-23/h2-7,12,17,22,25H,8-11,13-16,18-20H2,1H3