N-(3,5-dimethylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C17H21N5S/c1-13-10-14(2)12-15(11-13)20-17(23)22-8-6-21(7-9-22)16-18-4-3-5-19-16/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)