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

Systemtic Name: N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[2-(2-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-piperonylamide Formula: C26H17N3O4S MolecularWeight: 467.49588

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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=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C26H17N3O4S/c30-24(17-7-9-22-23(12-17)32-14-31-22)29-26(34)27-19-8-10-21-20(13-19)28-25(33-21)18-6-5-15-3-1-2-4-16(15)11-18/h1-13H,14H2,(H2,27,29,30,34)