2-[4-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazino]-1-pyrrolidino-ethanone Formula: C23H35N3O2S MolecularWeight: 417.6079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H35N3O2S/c1-23(2,3)18-6-7-19-17(14-18)15-20(29-19)22(28)26-12-10-24(11-13-26)16-21(27)25-8-4-5-9-25/h15,18H,4-14,16H2,1-3H3