[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-3-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [1-(3-ethoxy-4-hydroxy-benzyl)-3-piperidyl]-[2-(methylthio)phenyl]methanone Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC)O

InChI

InChI=1S/C22H27NO3S/c1-3-26-20-13-16(10-11-19(20)24)14-23-12-6-7-17(15-23)22(25)18-8-4-5-9-21(18)27-2/h4-5,8-11,13,17,24H,3,6-7,12,14-15H2,1-2H3