N-(1,3-benzodioxol-5-yl)-2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-bromo-2-thienyl)methyl]piperazino]acetamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Br)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Br)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20BrN3O3S/c19-17-4-2-14(26-17)10-21-5-7-22(8-6-21)11-18(23)20-13-1-3-15-16(9-13)25-12-24-15/h1-4,9H,5-8,10-12H2,(H,20,23)