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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromanyl-5-propyl-thiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromo-5-propyl-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-bromo-5-propyl-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromo-5-propylthiophen-2-yl)methanone Traditional Name: (4-bromo-5-propyl-2-thienyl)-(4-piperonylpiperazino)methanone Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-2-3-18-15(21)11-19(27-18)20(24)23-8-6-22(7-9-23)12-14-4-5-16-17(10-14)26-13-25-16/h4-5,10-11H,2-3,6-9,12-13H2,1H3