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

Systemtic Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-yl-piperazine-1-carboxamide Openeye Name: 4-[(3,5-dimethylbenzothiophen-2-yl)methyl]-N-(3-pyridyl)piperazine-1-carboxamide CAS Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-(3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-ylpiperazine-1-carboxamide Traditional Name: 4-[(3,5-dimethylbenzothiophen-2-yl)methyl]-N-(3-pyridyl)piperazine-1-carboxamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-15-5-6-19-18(12-15)16(2)20(27-19)14-24-8-10-25(11-9-24)21(26)23-17-4-3-7-22-13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)