1-[(4-phenoxyphenyl)methyl]-3-sulfanyl-piperidin-2-one

Systemtic Name: 1-[(4-phenoxyphenyl)methyl]-3-sulfanyl-piperidin-2-one Openeye Name: 1-[(4-phenoxyphenyl)methyl]-3-sulfanyl-piperidin-2-one CAS Name: 3-mercapto-1-[(4-phenoxyphenyl)methyl]-2-piperidinone IUPAC Name: 1-[(4-phenoxyphenyl)methyl]-3-sulfanylpiperidin-2-one Traditional Name: 3-mercapto-1-(4-phenoxybenzyl)-2-piperidone Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3)S

Isomeric SMILES

C1CC(C(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3)S

InChI

InChI=1S/C18H19NO2S/c20-18-17(22)7-4-12-19(18)13-14-8-10-16(11-9-14)21-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,22H,4,7,12-13H2