N-(2,3-dimethylphenyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioamide Formula: C21H29N5S MolecularWeight: 383.55346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5S/c1-14(2)20-22-16(4)13-19(24-20)25-9-11-26(12-10-25)21(27)23-18-8-6-7-15(3)17(18)5/h6-8,13-14H,9-12H2,1-5H3,(H,23,27)