2-azanyl-1-[4-(6-pyridin-2-ylpyridin-3-yl)carbonylpiperazin-1-yl]-3-sulfanyl-propan-1-one

Systemtic Name: 2-azanyl-1-[4-(6-pyridin-2-ylpyridin-3-yl)carbonylpiperazin-1-yl]-3-sulfanyl-propan-1-one Openeye Name: 2-amino-1-[4-[6-(2-pyridyl)pyridine-3-carbonyl]piperazin-1-yl]-3-sulfanyl-propan-1-one CAS Name: 2-amino-3-mercapto-1-[4-[oxo-[6-(2-pyridinyl)-3-pyridinyl]methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-amino-1-[4-(6-pyridin-2-ylpyridine-3-carbonyl)piperazin-1-yl]-3-sulfanylpropan-1-one Traditional Name: 2-amino-3-mercapto-1-[4-[6-(2-pyridyl)nicotinoyl]piperazino]propan-1-one Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN=C(C=C2)C3=CC=CC=N3)C(=O)C(CS)N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN=C(C=C2)C3=CC=CC=N3)C(=O)C(CS)N

InChI

InChI=1S/C18H21N5O2S/c19-14(12-26)18(25)23-9-7-22(8-10-23)17(24)13-4-5-16(21-11-13)15-3-1-2-6-20-15/h1-6,11,14,26H,7-10,12,19H2