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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-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=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)Cl

Isomeric SMILES

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

InChI

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