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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanylthiophen-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromo-3-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-bromo-3-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromothiophen-3-yl)methanone Traditional Name: (5-bromo-3-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=CSC(=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O3S/c18-16-8-13(10-24-16)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