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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-piperonylamide Formula: C22H15N3O4S MolecularWeight: 417.4372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H15N3O4S/c26-20(13-8-9-18-19(11-13)28-12-27-18)25-22(30)23-15-5-3-4-14(10-15)21-24-16-6-1-2-7-17(16)29-21/h1-11H,12H2,(H2,23,25,26,30)