N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloranyl-4-methyl-benzamide

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C22H14BrClIN3O2S MolecularWeight: 626.69193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14BrClIN3O2S/c1-11-2-3-12(8-17(11)24)20(29)28-22(31)26-14-5-7-19-18(10-14)27-21(30-19)15-9-13(25)4-6-16(15)23/h2-10H,1H3,(H2,26,28,29,31)