3-bromanyl-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H23BrClN3O2S MolecularWeight: 496.84822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3)Br

InChI

InChI=1S/C21H23BrClN3O2S/c1-2-28-18-10-9-14(13-15(18)22)20(27)25-21(29)24-17-8-6-7-16(23)19(17)26-11-4-3-5-12-26/h6-10,13H,2-5,11-12H2,1H3,(H2,24,25,27,29)