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

Systemtic Name: 2-[[2-ethoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-ethoxy-4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C)OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C23H26N2O2S/c1-3-26-22-14-18(23(28)25-12-10-17(2)11-13-25)8-9-21(22)27-16-20-7-5-4-6-19(20)15-24/h4-9,14,17H,3,10-13,16H2,1-2H3