N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide Openeye Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: N-[[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide Traditional Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C16H12IN3O2S MolecularWeight: 437.25485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12IN3O2S/c1-9(21)18-16(23)19-12-6-7-14-13(8-12)20-15(22-14)10-2-4-11(17)5-3-10/h2-8H,1H3,(H2,18,19,21,23)