4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide Openeye Name: 4-[(3,5-dimethylbenzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridyl)piperazine-1-carboxamide CAS Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide Traditional Name: 4-[(3,5-dimethylbenzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridyl)piperazine-1-carboxamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2C)CN3CCN(CC3)C(=O)NC4=CN=C(C=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2C)CN3CCN(CC3)C(=O)NC4=CN=C(C=C4)C

InChI

InChI=1S/C22H26N4OS/c1-15-4-7-20-19(12-15)17(3)21(28-20)14-25-8-10-26(11-9-25)22(27)24-18-6-5-16(2)23-13-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,27)