N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-piperonylamide Formula: C24H18ClN3O4S MolecularWeight: 479.93542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C24H18ClN3O4S/c1-2-13-3-7-19-18(9-13)27-23(32-19)16-11-15(5-6-17(16)25)26-24(33)28-22(29)14-4-8-20-21(10-14)31-12-30-20/h3-11H,2,12H2,1H3,(H2,26,28,29,33)