1-[(3-ethoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-ethoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-ethoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(3-ethoxyphenyl)methyl]-N-[2-(phenylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-ethoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-ethoxybenzyl)-N-[2-(phenylthio)phenyl]isonipecotamide Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2S/c1-2-31-23-10-8-9-21(19-23)20-29-17-15-22(16-18-29)27(30)28-25-13-6-7-14-26(25)32-24-11-4-3-5-12-24/h3-14,19,22H,2,15-18,20H2,1H3,(H,28,30)