N-(4-bromanyl-3-methyl-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(5-cyano-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide Formula: C18H18BrN5S MolecularWeight: 416.33802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C#N)Br

InChI

InChI=1S/C18H18BrN5S/c1-13-10-15(3-4-16(13)19)22-18(25)24-8-6-23(7-9-24)17-5-2-14(11-20)12-21-17/h2-5,10,12H,6-9H2,1H3,(H,22,25)