2-[[2-chloranyl-6-ethoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-chloranyl-6-ethoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-chloro-6-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-chloro-6-ethoxy-4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-chloro-6-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-chloro-6-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C23H25ClN2O2S MolecularWeight: 428.9748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O2S/c1-3-27-21-13-19(23(29)26-10-8-16(2)9-11-26)12-20(24)22(21)28-15-18-7-5-4-6-17(18)14-25/h4-7,12-13,16H,3,8-11,15H2,1-2H3