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

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C26H22IN3O2S MolecularWeight: 567.44125

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)I

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)I

InChI

InChI=1S/C26H22IN3O2S/c27-19-10-6-7-17(15-19)23-29-21-16-20(11-12-22(21)32-23)28-25(33)30-24(31)26(13-4-5-14-26)18-8-2-1-3-9-18/h1-3,6-12,15-16H,4-5,13-14H2,(H2,28,30,31,33)