2,3-bis(chloranyl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,3-bis(chloranyl)-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,3-dichloro-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2,3-dichloro-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,3-dichloro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,3-dichloro-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H15Cl2N3OS MolecularWeight: 416.3236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)Cl)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)Cl)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C20H15Cl2N3OS/c21-17-3-1-2-16(18(17)22)19(26)25-20(27)24-15-6-4-13(5-7-15)12-14-8-10-23-11-9-14/h1-11H,12H2,(H2,24,25,26,27)