N-(2-methylphenyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methylphenyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: N-(2-methylphenyl)-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methylphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-(o-tolyl)piperazine-1-carbothioamide Formula: C20H27N5S MolecularWeight: 369.52688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C20H27N5S/c1-14(2)19-21-16(4)13-18(23-19)24-9-11-25(12-10-24)20(26)22-17-8-6-5-7-15(17)3/h5-8,13-14H,9-12H2,1-4H3,(H,22,26)