N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-phenyl-benzamide Formula: C27H18IN3O2S MolecularWeight: 575.42019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H18IN3O2S/c28-21-8-4-7-20(15-21)26-30-23-16-22(13-14-24(23)33-26)29-27(34)31-25(32)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-16H,(H2,29,31,32,34)