N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2-(2,3-dimethylphenoxy)ethanamide

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2-(2,3-dimethylphenoxy)ethanamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-2-(2,3-dimethylphenoxy)acetamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-(2,3-dimethylphenoxy)acetamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-(2,3-dimethylphenoxy)acetamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-2-(2,3-dimethylphenoxy)acetamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl)C

InChI

InChI=1S/C22H26ClN3O2S/c1-15-7-6-8-20(16(15)2)28-14-21(27)25-22(29)24-17-9-10-19(18(23)13-17)26-11-4-3-5-12-26/h6-10,13H,3-5,11-12,14H2,1-2H3,(H2,24,25,27,29)