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

Systemtic Name: 2-chloranyl-5-iodanyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-5-iodo-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H15ClIN3OS MolecularWeight: 507.77507

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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)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClIN3OS/c21-18-6-3-15(22)12-17(18)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)