[1-[(3,5-dimethoxyphenyl)methyl]-5-(4-ethylphenyl)piperidin-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [1-[(3,5-dimethoxyphenyl)methyl]-5-(4-ethylphenyl)piperidin-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-[(3,5-dimethoxyphenyl)methyl]-5-(4-ethylphenyl)-3-piperidyl]-thiomorpholino-methanone CAS Name: [1-[(3,5-dimethoxyphenyl)methyl]-5-(4-ethylphenyl)-3-piperidinyl]-thiomorpholin-4-ylmethanone IUPAC Name: [1-[(3,5-dimethoxyphenyl)methyl]-5-(4-ethylphenyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-(3,5-dimethoxybenzyl)-5-(4-ethylphenyl)-3-piperidyl]-thiomorpholino-methanone Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC(CN(C2)CC3=CC(=CC(=C3)OC)OC)C(=O)N4CCSCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C2CC(CN(C2)CC3=CC(=CC(=C3)OC)OC)C(=O)N4CCSCC4

InChI

InChI=1S/C27H36N2O3S/c1-4-20-5-7-22(8-6-20)23-15-24(27(30)29-9-11-33-12-10-29)19-28(18-23)17-21-13-25(31-2)16-26(14-21)32-3/h5-8,13-14,16,23-24H,4,9-12,15,17-19H2,1-3H3