N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-piperonylamide Formula: C21H14N4O4S MolecularWeight: 418.42526

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C21H14N4O4S/c26-19(12-3-5-17-18(8-12)28-11-27-17)25-21(30)23-14-4-6-16-15(9-14)24-20(29-16)13-2-1-7-22-10-13/h1-10H,11H2,(H2,23,25,26,30)