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

Systemtic Name: N-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methylpentanamide Traditional Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-methyl-valeramide Formula: C20H19ClIN3O2S MolecularWeight: 527.80623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClIN3O2S/c1-11(2)3-8-18(26)25-20(28)23-13-5-7-17-16(10-13)24-19(27-17)14-9-12(22)4-6-15(14)21/h4-7,9-11H,3,8H2,1-2H3,(H2,23,25,26,28)