N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-iodanyl-benzamide

Systemtic Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-iodo-benzamide CAS Name: N-[[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-iodobenzamide Traditional Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-iodo-benzamide Formula: C21H13BrIN3O2S MolecularWeight: 578.22029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I

InChI

InChI=1S/C21H13BrIN3O2S/c22-14-5-1-4-13(9-14)20-25-17-11-16(7-8-18(17)28-20)24-21(29)26-19(27)12-3-2-6-15(23)10-12/h1-11H,(H2,24,26,27,29)