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

Systemtic Name: [(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone Openeye Name: [(5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-[4-(4-pyridyl)piperazin-1-yl]methanone CAS Name: [(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyridin-4-yl-1-piperazinyl)methanone IUPAC Name: [(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone Traditional Name: [(5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-[4-(4-pyridyl)piperazino]methanone Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C22H29N3OS/c1-22(2,3)17-4-5-19-16(14-17)15-20(27-19)21(26)25-12-10-24(11-13-25)18-6-8-23-9-7-18/h6-9,15,17H,4-5,10-14H2,1-3H3/t17-/m0/s1