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

Systemtic Name: 3-bromanyl-N-[6-tert-butyl-3-(4-methylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 3-bromo-N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 3-bromo-N-[6-tert-butyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 3-bromo-N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 3-bromo-N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C25H32BrN3O2S MolecularWeight: 518.50948

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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(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrN3O2S/c1-25(2,3)17-8-9-19-20(15-17)32-23(27-22(30)16-6-5-7-18(26)14-16)21(19)24(31)29-12-10-28(4)11-13-29/h5-7,14,17H,8-13,15H2,1-4H3,(H,27,30)