N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(thian-4-yl)piperidin-3-yl]propanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(thian-4-yl)piperidin-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-(1-tetrahydrothiopyran-4-yl-3-piperidyl)propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(4-thianyl)-3-piperidinyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(thian-4-yl)piperidin-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-(1-tetrahydrothiopyran-4-yl-3-piperidyl)propionamide Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCCN(C2)C3CCSCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CCC2CCCN(C2)C3CCSCC3)OC

InChI

InChI=1S/C22H34N2O3S/c1-26-20-7-6-18(21(14-20)27-2)15-23-22(25)8-5-17-4-3-11-24(16-17)19-9-12-28-13-10-19/h6-7,14,17,19H,3-5,8-13,15-16H2,1-2H3,(H,23,25)