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

Systemtic Name: N-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C23H17ClIN3O2S MolecularWeight: 561.82245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClIN3O2S/c1-12-3-6-16(13(2)9-12)21(29)28-23(31)26-15-5-8-20-19(11-15)27-22(30-20)17-10-14(25)4-7-18(17)24/h3-11H,1-2H3,(H2,26,28,29,31)