2-azanyl-1-[4-(methoxymethyl)-4-[(2-methylphenyl)methyl]piperidin-1-yl]-3-sulfanyl-propan-1-one

Systemtic Name: 2-azanyl-1-[4-(methoxymethyl)-4-[(2-methylphenyl)methyl]piperidin-1-yl]-3-sulfanyl-propan-1-one Openeye Name: 2-amino-1-[4-(methoxymethyl)-4-(o-tolylmethyl)-1-piperidyl]-3-sulfanyl-propan-1-one CAS Name: 2-amino-3-mercapto-1-[4-(methoxymethyl)-4-[(2-methylphenyl)methyl]-1-piperidinyl]-1-propanone IUPAC Name: 2-amino-1-[4-(methoxymethyl)-4-[(2-methylphenyl)methyl]piperidin-1-yl]-3-sulfanylpropan-1-one Traditional Name: 2-amino-3-mercapto-1-[4-(methoxymethyl)-4-(2-methylbenzyl)piperidino]propan-1-one Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)C(CS)N)COC

Isomeric SMILES

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)C(CS)N)COC

InChI

InChI=1S/C18H28N2O2S/c1-14-5-3-4-6-15(14)11-18(13-22-2)7-9-20(10-8-18)17(21)16(19)12-23/h3-6,16,23H,7-13,19H2,1-2H3