N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-3-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-3-(methylsulfanylmethyl)benzamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-3-[(methylthio)methyl]benzamide Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)CSC)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)CSC)N3CCCCC3

InChI

InChI=1S/C23H30N2O2S/c1-27-21-11-9-19(10-12-21)22(25-13-4-3-5-14-25)16-24-23(26)20-8-6-7-18(15-20)17-28-2/h6-12,15,22H,3-5,13-14,16-17H2,1-2H3,(H,24,26)