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

Systemtic Name: 2-[[2-chloranyl-4-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-chloro-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-chloro-4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-chloro-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-chloro-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2OS/c1-15-8-10-24(11-9-15)21(26)16-6-7-20(19(22)12-16)25-14-18-5-3-2-4-17(18)13-23/h2-7,12,15H,8-11,14H2,1H3