2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-(2-bromo-5-methoxy-benzoyl)piperazino]-1-(2-thienyl)ethanone Formula: C18H19BrN2O3S MolecularWeight: 423.32406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)CC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)CC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19BrN2O3S/c1-24-13-4-5-15(19)14(11-13)18(23)21-8-6-20(7-9-21)12-16(22)17-3-2-10-25-17/h2-5,10-11H,6-9,12H2,1H3