2-(2-azanylethylsulfanylmethyl)-4-piperidin-1-yl-1-pyridin-3-yl-butane-1,4-dione

Systemtic Name: 2-(2-azanylethylsulfanylmethyl)-4-piperidin-1-yl-1-pyridin-3-yl-butane-1,4-dione Openeye Name: 2-(2-aminoethylsulfanylmethyl)-4-(1-piperidyl)-1-(3-pyridyl)butane-1,4-dione CAS Name: 2-[(2-aminoethylthio)methyl]-4-(1-piperidinyl)-1-(3-pyridinyl)butane-1,4-dione IUPAC Name: 2-(2-aminoethylsulfanylmethyl)-4-piperidin-1-yl-1-pyridin-3-ylbutane-1,4-dione Traditional Name: 2-[(2-aminoethylthio)methyl]-4-piperidino-1-(3-pyridyl)butane-1,4-dione Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CC(CSCCN)C(=O)C2=CN=CC=C2

Isomeric SMILES

C1CCN(CC1)C(=O)CC(CSCCN)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H25N3O2S/c18-6-10-23-13-15(17(22)14-5-4-7-19-12-14)11-16(21)20-8-2-1-3-9-20/h4-5,7,12,15H,1-3,6,8-11,13,18H2