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

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]propionamide Formula: C17H14IN3O2S MolecularWeight: 451.28143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14IN3O2S/c1-2-15(22)21-17(24)19-12-6-7-14-13(9-12)20-16(23-14)10-4-3-5-11(18)8-10/h3-9H,2H2,1H3,(H2,19,21,22,24)