N-(6-bromanylpyridin-3-yl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(6-bromanylpyridin-3-yl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide Openeye Name: N-(6-bromo-3-pyridyl)-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1-carboxamide CAS Name: N-(6-bromo-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(6-bromopyridin-3-yl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide Traditional Name: N-(6-bromo-3-pyridyl)-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1-carboxamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN3CCN(CC3)C(=O)NC4=CN=C(C=C4)Br

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN3CCN(CC3)C(=O)NC4=CN=C(C=C4)Br

InChI

InChI=1S/C20H21BrN4OS/c1-14-16-4-2-3-5-17(16)27-18(14)13-24-8-10-25(11-9-24)20(26)23-15-6-7-19(21)22-12-15/h2-7,12H,8-11,13H2,1H3,(H,23,26)