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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-15-6-5-7-17(12-15)27-14-20(26)24-21(28)23-16-8-9-19(18(22)13-16)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11,14H2,1H3,(H2,23,24,26,28)