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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H18ClN5S MolecularWeight: 347.86562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H18ClN5S/c1-12-13(17)4-2-5-14(12)20-16(23)22-10-8-21(9-11-22)15-18-6-3-7-19-15/h2-7H,8-11H2,1H3,(H,20,23)