N-(3-fluoranyl-4-methyl-phenyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-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=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)F

InChI

InChI=1S/C20H26FN5S/c1-13(2)19-22-15(4)11-18(24-19)25-7-9-26(10-8-25)20(27)23-16-6-5-14(3)17(21)12-16/h5-6,11-13H,7-10H2,1-4H3,(H,23,27)