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

Systemtic Name: [4-[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperazin-1-yl]-(2-pyridyl)methanone CAS Name: [4-[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]-1-piperazinyl]-(2-pyridinyl)methanone IUPAC Name: [4-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperazino]-(2-pyridyl)methanone Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C20H23N3O2S/c1-14-5-6-17-15(12-14)13-18(26-17)20(25)23-10-8-22(9-11-23)19(24)16-4-2-3-7-21-16/h2-4,7,13-14H,5-6,8-12H2,1H3/t14-/m0/s1