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

Systemtic Name: N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-piperonylamide Formula: C28H19N3O4S MolecularWeight: 493.53316

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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=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H19N3O4S/c32-26(20-10-12-24-25(14-20)34-16-33-24)31-28(36)29-21-11-13-23-22(15-21)30-27(35-23)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-15H,16H2,(H2,29,31,32,36)