2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazino]-1-pyrrolidino-ethanone Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

InChI

InChI=1S/C23H27N3O2S/c27-21(25-9-3-4-10-25)16-24-11-13-26(14-12-24)23(28)20-15-18-8-7-17-5-1-2-6-19(17)22(18)29-20/h1-2,5-6,15H,3-4,7-14,16H2