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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromanylthiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromo-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-bromo-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromothiophen-2-yl)methanone Traditional Name: (4-bromo-2-thienyl)-(4-piperonylpiperazino)methanone Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CS4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CS4)Br

InChI

InChI=1S/C17H17BrN2O3S/c18-13-8-16(24-10-13)17(21)20-5-3-19(4-6-20)9-12-1-2-14-15(7-12)23-11-22-14/h1-2,7-8,10H,3-6,9,11H2