2-(4-bromophenyl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromophenyl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromophenyl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromophenyl)thio]-1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromophenyl)sulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]ethanone Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)Br)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)Br)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21BrN2O4S/c22-15-5-7-16(8-6-15)29-14-20(25)23-9-11-24(12-10-23)21(26)19-13-27-17-3-1-2-4-18(17)28-19/h1-8,19H,9-14H2