N-(3,4-dimethoxyphenyl)-2-[3-[4-(phenylmethyl)piperidin-1-yl]carbonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[3-[4-(phenylmethyl)piperidin-1-yl]carbonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[3-(4-benzylpiperidine-1-carbonyl)-2-pyridyl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[3-(4-benzylpiperidine-1-carbonyl)pyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[3-(4-benzylpiperidine-1-carbonyl)-2-pyridyl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C28H31N3O4S/c1-34-24-11-10-22(18-25(24)35-2)30-26(32)19-36-27-23(9-6-14-29-27)28(33)31-15-12-21(13-16-31)17-20-7-4-3-5-8-20/h3-11,14,18,21H,12-13,15-17,19H2,1-2H3,(H,30,32)