N-(2-methoxy-5-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H21N5OS MolecularWeight: 343.44654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5OS/c1-13-4-5-15(23-2)14(12-13)20-17(24)22-10-8-21(9-11-22)16-18-6-3-7-19-16/h3-7,12H,8-11H2,1-2H3,(H,20,24)