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

Systemtic Name: 2-[(2-ethoxy-4-piperidin-1-ylcarbothioyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c1-2-25-21-14-17(22(27)24-12-6-3-7-13-24)10-11-20(21)26-16-19-9-5-4-8-18(19)15-23/h4-5,8-11,14H,2-3,6-7,12-13,16H2,1H3