N-[3-[(4-ethylpiperazin-1-yl)-pyridin-2-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: N-[3-[(4-ethylpiperazin-1-yl)-pyridin-2-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(4-ethylpiperazin-1-yl)-(2-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[(4-ethyl-1-piperazinyl)-(2-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[(4-ethylpiperazino)-(2-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CC=CC=N2)C3=C(SC4=C3CCCC4)NC(=O)C

Isomeric SMILES

CCN1CCN(CC1)C(C2=CC=CC=N2)C3=C(SC4=C3CCCC4)NC(=O)C

InChI

InChI=1S/C22H30N4OS/c1-3-25-12-14-26(15-13-25)21(18-9-6-7-11-23-18)20-17-8-4-5-10-19(17)28-22(20)24-16(2)27/h6-7,9,11,21H,3-5,8,10,12-15H2,1-2H3,(H,24,27)