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

Systemtic Name: 4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-(6-pyridin-3-yloxypyridin-3-yl)piperazine-1-carboxamide Openeye Name: 4-[(3-methylbenzothiophen-2-yl)methyl]-N-[6-(3-pyridyloxy)-3-pyridyl]piperazine-1-carboxamide CAS Name: 4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-[6-(3-pyridinyloxy)-3-pyridinyl]-1-piperazinecarboxamide IUPAC Name: 4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-(6-pyridin-3-yloxypyridin-3-yl)piperazine-1-carboxamide Traditional Name: 4-[(3-methylbenzothiophen-2-yl)methyl]-N-[6-(3-pyridyloxy)-3-pyridyl]piperazine-1-carboxamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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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)OC5=CN=CC=C5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN3CCN(CC3)C(=O)NC4=CN=C(C=C4)OC5=CN=CC=C5

InChI

InChI=1S/C25H25N5O2S/c1-18-21-6-2-3-7-22(21)33-23(18)17-29-11-13-30(14-12-29)25(31)28-19-8-9-24(27-15-19)32-20-5-4-10-26-16-20/h2-10,15-16H,11-14,17H2,1H3,(H,28,31)