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

Systemtic Name: 2-(4-bromanylphenoxy)-N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]acetamide Formula: C20H21BrClN3O2S MolecularWeight: 482.82164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C20H21BrClN3O2S/c21-14-4-7-16(8-5-14)27-13-19(26)24-20(28)23-15-6-9-18(17(22)12-15)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H2,23,24,26,28)