2-[[5-bromanyl-2-methoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[5-bromanyl-2-methoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[5-bromo-2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[5-bromo-2-methoxy-4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[5-bromo-2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[5-bromo-2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C22H23BrN2O2S MolecularWeight: 459.39922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)C2=CC(=C(C=C2Br)OCC3=CC=CC=C3C#N)OC

Isomeric SMILES

CC1CCN(CC1)C(=S)C2=CC(=C(C=C2Br)OCC3=CC=CC=C3C#N)OC

InChI

InChI=1S/C22H23BrN2O2S/c1-15-7-9-25(10-8-15)22(28)18-11-20(26-2)21(12-19(18)23)27-14-17-6-4-3-5-16(17)13-24/h3-6,11-12,15H,7-10,14H2,1-2H3