N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)-1,4-dithiepan-6-amine

Systemtic Name: N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)-1,4-dithiepan-6-amine Openeye Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-N-(4-pyridylmethyl)-1,4-dithiepan-6-amine CAS Name: N-[[1-(2-methoxyethyl)-4-piperidinyl]methyl]-N-(pyridin-4-ylmethyl)-1,4-dithiepan-6-amine IUPAC Name: N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)-1,4-dithiepan-6-amine Traditional Name: 1,4-dithiepan-6-yl-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-(4-pyridylmethyl)amine Formula: C20H33N3OS2 MolecularWeight: 395.62552

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCC(CC1)CN(CC2=CC=NC=C2)C3CSCCSC3

Isomeric SMILES

COCCN1CCC(CC1)CN(CC2=CC=NC=C2)C3CSCCSC3

InChI

InChI=1S/C20H33N3OS2/c1-24-11-10-22-8-4-19(5-9-22)15-23(14-18-2-6-21-7-3-18)20-16-25-12-13-26-17-20/h2-3,6-7,19-20H,4-5,8-17H2,1H3