N-[6-tert-butyl-3-(4-methylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[6-tert-butyl-3-(4-methylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-fluoro-benzamide CAS Name: N-[6-tert-butyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide IUPAC Name: N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide Traditional Name: N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-fluoro-benzamide Formula: C25H32FN3O2S MolecularWeight: 457.603883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCN(CC3)C)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCN(CC3)C)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H32FN3O2S/c1-25(2,3)17-7-10-19-20(15-17)32-23(27-22(30)16-5-8-18(26)9-6-16)21(19)24(31)29-13-11-28(4)12-14-29/h5-6,8-9,17H,7,10-15H2,1-4H3,(H,27,30)