2-[(2-chloranyl-6-ethoxy-4-piperidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-chloranyl-6-ethoxy-4-piperidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[2-chloro-6-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-chloro-6-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-chloro-6-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-chloro-6-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Cl)OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Cl)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23ClN2O2S/c1-2-26-20-13-18(22(28)25-10-6-3-7-11-25)12-19(23)21(20)27-15-17-9-5-4-8-16(17)14-24/h4-5,8-9,12-13H,2-3,6-7,10-11,15H2,1H3