2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonyl)piperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)piperazino]-N-phenyl-acetamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H25N3O2S/c29-23(26-20-7-2-1-3-8-20)17-27-12-14-28(15-13-27)25(30)22-16-19-11-10-18-6-4-5-9-21(18)24(19)31-22/h1-9,16H,10-15,17H2,(H,26,29)