1-(4-methylpiperazin-1-yl)-2-[(6S)-6-oxidanylindeno[2,1-b][1]benzothiol-6-yl]ethanone

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-[(6S)-6-oxidanylindeno[2,1-b][1]benzothiol-6-yl]ethanone Openeye Name: 2-[(6S)-6-hydroxyindeno[2,1-b]benzothiophen-6-yl]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[(6S)-6-hydroxy-6-indeno[2,1-b][1]benzothiolyl]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[(6S)-6-hydroxyindeno[2,1-b][1]benzothiol-6-yl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[(6S)-6-hydroxyindeno[2,1-b]benzothiophen-6-yl]-1-(4-methylpiperazino)ethanone Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC2(C3=CC=CC=C3C4=C2SC5=CC=CC=C54)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C[C@@]2(C3=CC=CC=C3C4=C2SC5=CC=CC=C54)O

InChI

InChI=1S/C22H22N2O2S/c1-23-10-12-24(13-11-23)19(25)14-22(26)17-8-4-2-6-15(17)20-16-7-3-5-9-18(16)27-21(20)22/h2-9,26H,10-14H2,1H3/t22-/m0/s1