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

Systemtic Name: N-[6-tert-butyl-3-(4-methylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[6-tert-butyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2S/c1-25(2,3)18-10-11-19-20(16-18)31-23(26-22(29)17-8-6-5-7-9-17)21(19)24(30)28-14-12-27(4)13-15-28/h5-9,18H,10-16H2,1-4H3,(H,26,29)