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

Systemtic Name: 3,5-bis(bromanyl)-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C20H20Br2ClN3O2S MolecularWeight: 561.7177

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3)Br)Br

InChI

InChI=1S/C20H20Br2ClN3O2S/c1-28-18-13(10-12(21)11-14(18)22)19(27)25-20(29)24-16-7-5-6-15(23)17(16)26-8-3-2-4-9-26/h5-7,10-11H,2-4,8-9H2,1H3,(H2,24,25,27,29)