1-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-pyrazin-2-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-pyrazin-2-yl-propan-1-one Openeye Name: 1-[(3S)-3-(2-methylsulfanylbenzoyl)-1-piperidyl]-3-pyrazin-2-yl-propan-1-one CAS Name: 1-[(3S)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-3-(2-pyrazinyl)-1-propanone IUPAC Name: 1-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one Traditional Name: 1-[(3S)-3-[2-(methylthio)benzoyl]piperidino]-3-pyrazin-2-yl-propan-1-one Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)CCC3=NC=CN=C3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCCN(C2)C(=O)CCC3=NC=CN=C3

InChI

InChI=1S/C20H23N3O2S/c1-26-18-7-3-2-6-17(18)20(25)15-5-4-12-23(14-15)19(24)9-8-16-13-21-10-11-22-16/h2-3,6-7,10-11,13,15H,4-5,8-9,12,14H2,1H3/t15-/m0/s1