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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloranyl-5-methylsulfanyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloro-5-methylsulfanyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-chloro-5-(methylthio)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-(4-piperonylpiperazino)methanone Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21ClN2O3S/c1-27-15-3-4-17(21)16(11-15)20(24)23-8-6-22(7-9-23)12-14-2-5-18-19(10-14)26-13-25-18/h2-5,10-11H,6-9,12-13H2,1H3