N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]nicotinamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H18N4O2S/c1-2-14-8-9-19-18(11-14)25-21(28-19)15-5-3-7-17(12-15)24-22(29)26-20(27)16-6-4-10-23-13-16/h3-13H,2H2,1H3,(H2,24,26,27,29)