N-[4-[4-(pyridin-2-ylcarbamothioyl)phenyl]sulfonylphenyl]pyridine-2-carbothioamide

Systemtic Name: N-[4-[4-(pyridin-2-ylcarbamothioyl)phenyl]sulfonylphenyl]pyridine-2-carbothioamide Openeye Name: N-[4-[4-(2-pyridylcarbamothioyl)phenyl]sulfonylphenyl]pyridine-2-carbothioamide CAS Name: N-[4-[4-[(2-pyridinylamino)-sulfanylidenemethyl]phenyl]sulfonylphenyl]-2-pyridinecarbothioamide IUPAC Name: N-[4-[4-(pyridin-2-ylcarbamothioyl)phenyl]sulfonylphenyl]pyridine-2-carbothioamide Traditional Name: N-[4-[4-(2-pyridylthiocarbamoyl)phenyl]sulfonylphenyl]thiopicolinamide Formula: C24H18N4O2S3 MolecularWeight: 490.62032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=S)NC4=CC=CC=N4

Isomeric SMILES

C1=CC=NC(=C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=S)NC4=CC=CC=N4

InChI

InChI=1S/C24H18N4O2S3/c29-33(30,19-11-7-17(8-12-19)23(31)28-22-6-2-4-16-26-22)20-13-9-18(10-14-20)27-24(32)21-5-1-3-15-25-21/h1-16H,(H,27,32)(H,26,28,31)