N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioamide Formula: C20H26FN5S MolecularWeight: 387.517343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H26FN5S/c1-14(2)19-23-15(3)12-18(24-19)25-8-10-26(11-9-25)20(27)22-13-16-4-6-17(21)7-5-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,22,27)