4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-[4-(4-nitrophenyl)piperazino]methanone Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O3S/c27-23(21-15-17-6-5-16-3-1-2-4-20(16)22(17)30-21)25-13-11-24(12-14-25)18-7-9-19(10-8-18)26(28)29/h1-4,7-10,15H,5-6,11-14H2