1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)pyrimidine-2-thione

Systemtic Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)pyrimidine-2-thione Openeye Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)pyrimidine-2-thione CAS Name: 1-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-6-(trifluoromethyl)-2-pyrimidinethione IUPAC Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)pyrimidine-2-thione Traditional Name: 1-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-6-(trifluoromethyl)pyrimidine-2-thione Formula: C16H24F3N5O2S2 MolecularWeight: 439.51927

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CN3C(=CC=NC3=S)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CN3C(=CC=NC3=S)C(F)(F)F

InChI

InChI=1S/C16H24F3N5O2S2/c17-16(18,19)14-5-6-20-15(27)24(14)13-21-9-11-23(12-10-21)28(25,26)22-7-3-1-2-4-8-22/h5-6H,1-4,7-13H2