2-[[4-bromanyl-2-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-bromanyl-2-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-bromo-2-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[4-bromo-2-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-bromo-2-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-bromo-2-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C21H21BrN2OS MolecularWeight: 429.37324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3C#N

Isomeric SMILES

CC1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H21BrN2OS/c1-15-8-10-24(11-9-15)21(26)19-12-18(22)6-7-20(19)25-14-17-5-3-2-4-16(17)13-23/h2-7,12,15H,8-11,14H2,1H3