5-bromanyl-2-chloranyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H15BrClN3OS MolecularWeight: 460.7746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C20H15BrClN3OS/c21-15-3-6-18(22)17(12-15)19(26)25-20(27)24-16-4-1-13(2-5-16)11-14-7-9-23-10-8-14/h1-10,12H,11H2,(H2,24,25,26,27)