N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methyl-propionamide Formula: C18H16IN3O2S MolecularWeight: 465.30801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16IN3O2S/c1-10(2)16(23)22-18(25)20-13-6-7-15-14(9-13)21-17(24-15)11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H2,20,22,23,25)