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

Systemtic Name: N-[3-[(4-phenylpiperazin-1-yl)-pyridin-3-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(4-phenylpiperazin-1-yl)-(3-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[(4-phenyl-1-piperazinyl)-(3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[(4-phenylpiperazino)-(3-pyridyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CN=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CN=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N4OS/c1-19(31)28-26-24(22-11-5-6-12-23(22)32-26)25(20-8-7-13-27-18-20)30-16-14-29(15-17-30)21-9-3-2-4-10-21/h2-4,7-10,13,18,25H,5-6,11-12,14-17H2,1H3,(H,28,31)