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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [2-(methylthio)phenyl]-(4-piperonylpiperazino)methanone Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O3S/c1-26-19-5-3-2-4-16(19)20(23)22-10-8-21(9-11-22)13-15-6-7-17-18(12-15)25-14-24-17/h2-7,12H,8-11,13-14H2,1H3