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

Systemtic Name: N-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C19H17ClIN3O2S MolecularWeight: 513.77965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C19H17ClIN3O2S/c1-19(2,3)17(25)24-18(27)22-11-5-7-15-14(9-11)23-16(26-15)12-8-10(21)4-6-13(12)20/h4-9H,1-3H3,(H2,22,24,25,27)