4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: 4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 4,5-dihydrobenzo[g]benzothiophen-2-yl-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]methanone Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

InChI

InChI=1S/C25H28N4OS/c1-16(2)24-26-17(3)14-22(27-24)28-10-12-29(13-11-28)25(30)21-15-19-9-8-18-6-4-5-7-20(18)23(19)31-21/h4-7,14-16H,8-13H2,1-3H3