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

Systemtic Name: N-(2-ethylphenyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(2-ethylphenyl)-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioamide CAS Name: N-(2-ethylphenyl)-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-ethylphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(2-ethylphenyl)-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:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

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