5-bromanyl-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C20H21BrClN3O2S MolecularWeight: 482.82164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C20H21BrClN3O2S/c1-27-17-9-8-13(21)12-14(17)19(26)24-20(28)23-16-7-5-6-15(22)18(16)25-10-3-2-4-11-25/h5-9,12H,2-4,10-11H2,1H3,(H2,23,24,26,28)