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

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

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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=CC=CC=C5

Isomeric SMILES

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

InChI

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