2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methyl-5-methylsulfanyl-benzoyl)piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-methyl-5-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methyl-5-methylsulfanylbenzoyl)piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-methyl-5-(methylthio)benzoyl]piperazino]methanone Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O4S/c1-15-7-8-16(29-2)13-17(15)21(25)23-9-11-24(12-10-23)22(26)20-14-27-18-5-3-4-6-19(18)28-20/h3-8,13,20H,9-12,14H2,1-2H3