[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(methylthio)-3-pyridyl]-(4-piperonylpiperazino)methanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O3S/c1-26-18-15(3-2-6-20-18)19(23)22-9-7-21(8-10-22)12-14-4-5-16-17(11-14)25-13-24-16/h2-6,11H,7-10,12-13H2,1H3