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

Systemtic Name: [4-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazin-1-yl]-(2-pyridyl)methanone CAS Name: [4-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-(2-pyridinyl)methanone IUPAC Name: [4-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazino]-(2-pyridyl)methanone Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C23H29N3O2S/c1-23(2,3)17-7-8-19-16(14-17)15-20(29-19)22(28)26-12-10-25(11-13-26)21(27)18-6-4-5-9-24-18/h4-6,9,15,17H,7-8,10-14H2,1-3H3