N-(2-chloranyl-4,6-dimethyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H20ClN5S MolecularWeight: 361.8922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5S/c1-12-10-13(2)15(14(18)11-12)21-17(24)23-8-6-22(7-9-23)16-19-4-3-5-20-16/h3-5,10-11H,6-9H2,1-2H3,(H,21,24)