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

Systemtic Name: N-(6-acetamidopyridin-3-yl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide Openeye Name: N-(6-acetamido-3-pyridyl)-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1-carboxamide CAS Name: N-(6-acetamido-3-pyridinyl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(6-acetamidopyridin-3-yl)-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide Traditional Name: N-(6-acetamido-3-pyridyl)-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-15-18-5-3-4-6-19(18)30-20(15)14-26-9-11-27(12-10-26)22(29)25-17-7-8-21(23-13-17)24-16(2)28/h3-8,13H,9-12,14H2,1-2H3,(H,25,29)(H,23,24,28)