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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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