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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=CC=CC=C21)CN3CCN(CC3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CCC1=C(SC2=CC=CC=C21)CN3CCN(CC3)C(=O)NC4=CN=CC=C4

InChI

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