N-(4-bromanyl-3-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H18BrN5S MolecularWeight: 392.31662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN5S/c1-12-11-13(3-4-14(12)17)20-16(23)22-9-7-21(8-10-22)15-18-5-2-6-19-15/h2-6,11H,7-10H2,1H3,(H,20,23)