2-(2,3-dimethylphenoxy)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2,3-dimethylphenoxy)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2,3-dimethylphenoxy)-N-[[2-(1-piperidyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(2,3-dimethylphenoxy)-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,3-dimethylphenoxy)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2,3-dimethylphenoxy)-N-[(2-piperidinophenyl)thiocarbamoyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3)C

InChI

InChI=1S/C22H27N3O2S/c1-16-9-8-12-20(17(16)2)27-15-21(26)24-22(28)23-18-10-4-5-11-19(18)25-13-6-3-7-14-25/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H2,23,24,26,28)