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

Systemtic Name: 4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C19H24N6O2S MolecularWeight: 400.49786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O2S/c1-13(2)18-20-14(3)12-17(22-18)23-8-10-24(11-9-23)19(28)21-15-4-6-16(7-5-15)25(26)27/h4-7,12-13H,8-11H2,1-3H3,(H,21,28)