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

Systemtic Name: N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(1-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=CC=CC6=CC=CC=C65

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC6=CC=CC=C65

InChI

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