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

Systemtic Name: N-[6-tert-butyl-3-(4-methylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methyl-benzamide Openeye Name: N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-methyl-benzamide CAS Name: N-[6-tert-butyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide IUPAC Name: N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide Traditional Name: N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-methyl-benzamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C26H35N3O2S/c1-17-6-8-18(9-7-17)23(30)27-24-22(25(31)29-14-12-28(5)13-15-29)20-11-10-19(26(2,3)4)16-21(20)32-24/h6-9,19H,10-16H2,1-5H3,(H,27,30)