[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanyl-4-methoxy-thiophen-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanyl-4-methoxy-thiophen-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromo-4-methoxy-3-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-bromo-4-methoxy-3-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromo-4-methoxythiophen-3-yl)methanone Traditional Name: (5-bromo-4-methoxy-3-thienyl)-(4-piperonylpiperazino)methanone Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

COC1=C(SC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C18H19BrN2O4S/c1-23-16-13(10-26-17(16)19)18(22)21-6-4-20(5-7-21)9-12-2-3-14-15(8-12)25-11-24-14/h2-3,8,10H,4-7,9,11H2,1H3