5-bromanyl-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C23H17BrIN3O3S MolecularWeight: 622.27285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)I)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)I)OC

InChI

InChI=1S/C23H17BrIN3O3S/c1-12-9-14(24)10-17(20(12)30-2)21(29)28-23(32)26-16-7-8-19-18(11-16)27-22(31-19)13-3-5-15(25)6-4-13/h3-11H,1-2H3,(H2,26,28,29,32)