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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-chloro-4-methylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H18ClN5S MolecularWeight: 347.86562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5S/c1-12-3-4-14(13(17)11-12)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)