N-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(3-pyridylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[oxo-(3-pyridinylmethylamino)methyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(3-pyridylmethylcarbamoyl)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H16N4O2S2/c24-17(21-12-13-3-1-9-20-11-13)14-5-7-15(8-6-14)22-19(26)23-18(25)16-4-2-10-27-16/h1-11H,12H2,(H,21,24)(H2,22,23,25,26)