(3S)-3-(2-methylsulfanylethyl)-4-[6-(pyridin-3-ylmethylamino)naphthalen-1-yl]carbonyl-piperazin-2-one

Systemtic Name: (3S)-3-(2-methylsulfanylethyl)-4-[6-(pyridin-3-ylmethylamino)naphthalen-1-yl]carbonyl-piperazin-2-one Openeye Name: (3S)-3-(2-methylsulfanylethyl)-4-[6-(3-pyridylmethylamino)naphthalene-1-carbonyl]piperazin-2-one CAS Name: (3S)-3-[2-(methylthio)ethyl]-4-[oxo-[6-(3-pyridinylmethylamino)-1-naphthalenyl]methyl]-2-piperazinone IUPAC Name: (3S)-3-(2-methylsulfanylethyl)-4-[6-(pyridin-3-ylmethylamino)naphthalene-1-carbonyl]piperazin-2-one Traditional Name: (3S)-3-[2-(methylthio)ethyl]-4-[6-(3-pyridylmethylamino)-1-naphthoyl]piperazin-2-one Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1C(=O)NCCN1C(=O)C2=CC=CC3=C2C=CC(=C3)NCC4=CN=CC=C4

Isomeric SMILES

CSCC[C@H]1C(=O)NCCN1C(=O)C2=CC=CC3=C2C=CC(=C3)NCC4=CN=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-31-13-9-22-23(29)26-11-12-28(22)24(30)21-6-2-5-18-14-19(7-8-20(18)21)27-16-17-4-3-10-25-15-17/h2-8,10,14-15,22,27H,9,11-13,16H2,1H3,(H,26,29)/t22-/m0/s1